3-aminopropionitrile fumarate

Modify Date: 2024-01-08 10:23:13

3-aminopropionitrile fumarate Structure
3-aminopropionitrile fumarate structure
Common Name 3-aminopropionitrile fumarate
CAS Number 2079-89-2 Molecular Weight 186.165
Density N/A Boiling Point 355.5ºC at 760 mmHg
Molecular Formula C7H10N2O4 Melting Point 177 °C (dec.)(lit.)
MSDS Chinese USA Flash Point 183ºC
Symbol GHS08
GHS08
Signal Word Danger

 Use of 3-aminopropionitrile fumarate


3-Aminopropionitrile fumarate (2:1) is a lathyrogen which inhibits crosslinking of collagen.

 Names

Name 3-aminopropionitrile fumarate
Synonym More Synonyms

 3-aminopropionitrile fumarate Biological Activity

Description 3-Aminopropionitrile fumarate (2:1) is a lathyrogen which inhibits crosslinking of collagen.
Related Catalog
Target

Collagen[1].

In Vivo Twenty days after the induction of tendinitis, intralesional treatment with 3-Aminopropionitrile fumarate (2:1) (BAPN-F) is performed and the contralateral limbs receive saline. A biopsy is obtained and gross and histopathological analysis is performed on the 150 th day of the experiment. The collagen fibrillar alignment pattern in the healing area is better in the 3-Aminopropionitrile fumarate (2:1) group submitted to controlled exercise than in the other group, as observed by sonographic and histopathologic examination. The present results indicate that 3-Aminopropionitrile fumarate (2:1) in combination with controlled loading improved scar remodeling and tendon wound collagen maturation[1].
Animal Admin Horses[1] Seven female and nine male horses are assigned at random to two groups (G1 and G2) submitted to different treatments after the induction of acute tendinitis. Each group consists of eight animals injected with type 1 collagenase, 1 mL, 2.5 mg/mL, in the middle metacarpal third into the superficial digital flexor tendons of both forelimbs. Twenty days after the injection of collagenase, one of the limbs (G1A/G2A) receives an injection of 3-Aminopropionitrile fumarate (2:1), 3 mL, 0.8 mg/mL, and the other limb (G1B) receives the same volume of buffered saline as control. Group one was left in box rest, and group two was submitted to controlled exercise during the experiment[1].
References

[1]. A.L.G. Alves, et al. Effects of beta-aminopropionitrile fumarate and exercise on equine tendon healing: gross and histological aspects. Journal of Equine Veterinary Science, 2001, 21 (7) :335-340.

 Chemical & Physical Properties

Boiling Point 355.5ºC at 760 mmHg
Melting Point 177 °C (dec.)(lit.)
Molecular Formula C7H10N2O4
Molecular Weight 186.165
Flash Point 183ºC
Exact Mass 186.064056
PSA 124.41000
LogP 0.27088
Vapour Pressure 5.19E-06mmHg at 25°C
Storage condition -20°C

 MSDS

Name: 3-Aminopropionitrile fumarate 99+% Material Safety Data Sheet
Synonym: 3-Aminopropionitrile, fumarate; BAPN fumarate; beta-Aminopropionitrile, fumarate; beta-Apn; Bis(3-aminopropiononitrile) fumarate; Di-bapn fumarate; Di-beta-aminopropionitrile fumarate; Propanenitrile, 3-amino-, (E)-2-butenedioate (2:1); Pr
CAS: 2079-89-2
Section 1 - Chemical Product MSDS Name:3-Aminopropionitrile fumarate 99+% Material Safety Data Sheet
Synonym:3-Aminopropionitrile, fumarate; BAPN fumarate; beta-Aminopropionitrile, fumarate; beta-Apn; Bis(3-aminopropiononitrile) fumarate; Di-bapn fumarate; Di-beta-aminopropionitrile fumarate; Propanenitrile, 3-amino-, (E)-2-butenedioate (2:1); Pr

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2079-89-2 3-Aminopropionitrile fumarate 99+ 218-208-7
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.Harmful.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood. Do not breathe dust.
Storage:
Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2079-89-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170.00 - 173.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 170 deg C
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C3H6N2.0.5C4H4O4
Molecular Weight: 128.13

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, cyanide fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2079-89-2: UG0700000 LD50/LC50:
Not available.
Oral, Rat: LD50 = 800 Carcinogenicity:
3-Aminopropionitrile fumarate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 2079-89-2: No information available.
Canada
CAS# 2079-89-2 is listed on Canada's NDSL List.
CAS# 2079-89-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2079-89-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG0700000
CAS REGISTRY NUMBER :
2079-89-2
LAST UPDATED :
199706
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C4-H4-O4.2C3-H6-N2
MOLECULAR WEIGHT :
256.30
WISWESSER LINE NOTATION :
QV1U1VQ -T &Z2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 5,33,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EXMPA6 Experimental and Molecular Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 39,154,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5362 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EXMPA6 Experimental and Molecular Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 39,154,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 14,43,1976 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1 gm/kg
SEX/DURATION :
female 15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 24,43,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
600 mg/kg
SEX/DURATION :
female 15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
DEBIAO Developmental Biology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 27,327,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1 gm/kg
SEX/DURATION :
female 17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 10,165,1974
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1200 mg/kg
SEX/DURATION :
female 15-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50; V.70-99, 1960-75. For publisher information, see APLMAS. Volume(issue)/page/year: 81,60,1966
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1200 mg/kg
SEX/DURATION :
female 13-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - homeostasis Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50; V.70-99, 1960-75. For publisher information, see APLMAS. Volume(issue)/page/year: 81,60,1966
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1800 mg/kg
SEX/DURATION :
female 14-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,839,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1800 mg/kg
SEX/DURATION :
female 13-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,839,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2700 mg/kg
SEX/DURATION :
female 14-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,839,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1250 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 14,43,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1250 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - homeostasis
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 14,43,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 14,43,1976

 Safety Information

Symbol GHS08
GHS08
Signal Word Danger
Hazard Statements H360
Precautionary Statements P201-P308 + P313
Personal Protective Equipment Eyeshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S53-S45
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS UG0700000
HS Code 2926909090

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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 Synonyms

Propionitrile, 3-amino-, fumarate (2:1)
2-Cyanoethanaminium hydrogen (2E)-but-2-enedioate (1:1:1)
2-aminopropionitril fumarate
3-Aminopropanenitrile (2E)-but-2-enedioate (1:1)
Propanenitrile, 3-amino-, (2E)-2-butenedioate (1:1)
NH2CH2CH2CN0.5(HO2CCH=CHCO2H)
EINECS 218-208-7
bis(3-aminopropiononitrile) fumarate
3-Aminopropionitrile, fumarate
Propionitrile, 3-amino-, fumarate
B-aminopropionitrile
3-Aminopionitrile Fumarate
Propionitrile, 3-amino-, fumarate (1:1)
3-Aminopropionitrile fumarate salt
di(2-cyanoethylammonium) fumarate
β-Aminopropionitrile, fumarate
2-Cyanoethylamine hemifumarate
MFCD00078321
Propanenitrile, 3-amino-, (E)-2-butenedioate (1:1)
3-Aminopropionitrile fumarate
B-aminopropionitrile fumarate
B-aminopropionitrile monofumarate
3-amino-propionitrilfumarate(2:1)
3-Aminopropanenitrile (2E)-2-butenedioate (1:1)
ethanaminium, 2-cyano- (2E)-2-butenedioate, hydrogen salt (1:1:1)
EINECS 206-527-4
3-Aminopropionitrile fumarate (2:1)
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