nnal
Names
[ CAS No. ]:
76014-81-8
[ Name ]:
nnal
[Synonym ]:
rac NNAL
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
4-(N-methyl-N-nitrosoamino)-1-(3-pyridyl)-1-butanol
4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-ol
nnal
4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanol
[3H]-(+/-)-NNAL
(4-Methylnitrosoamino)-1-(3-pyridyl)-1-butanol
[14C]-(+/-)-NNAL
Chemical & Physical Properties
[ Density]:
1.16g/cm3
[ Boiling Point ]:
430.2ºC at 760 mmHg
[ Molecular Formula ]:
C10H15N3O2
[ Molecular Weight ]:
209.24500
[ Flash Point ]:
214ºC
[ Exact Mass ]:
209.11600
[ PSA ]:
65.79000
[ LogP ]:
1.50840
[ Index of Refraction ]:
1.557
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UT5014750
- CHEMICAL NAME :
- 3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-
- CAS REGISTRY NUMBER :
- 76014-81-8
- LAST UPDATED :
- 199507
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H15-N3-O2
- MOLECULAR WEIGHT :
- 209.28
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 41850 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 11,1017,1990
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 105 mg/kg/7W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
- REFERENCE :
- CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 71,25,1993
Safety Information
[ Symbol ]:
GHS02, GHS06, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H301 + H311 + H331-H370
[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P311
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
F,T
[ Risk Phrases ]:
11-23/24/25-39/23/24/25
[ Safety Phrases ]:
7-16-36/37-45
[ RIDADR ]:
UN1230 - class 3 - PG 2 - Methanol, solution
[ RTECS ]:
UT5014750
Articles
Cancer Res. 62(1) , 129-34, (2002)
Two major metabolites of the tobacco-specific lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) were previously shown to be highly persistent in human urine after cessation of cigar...
Evidence for endogenous formation of N'-nitrosonornicotine in some long-term nicotine patch users.Nicotine Tob. Res. 11(1) , 99-105, (2009)
Nitrosation of nicotine or its metabolites in the human body could lead to formation of the 2 carcinogenic tobacco-specific nitrosamines-N'-nitrosonornicotine (NNN) and 4-(methylnitrosamino)-1-(3-pyri...
Comparative metabolism of the tobacco-related carcinogens benzo[a]pyrene, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, and N'- nitrosonornicotine in human hepatic microsomes.Drug Metab. Dispos. 25(2) , 154-62, (1997)
We compared the metabolism in human hepatic microsomes of three tobacco smoke carcinogens believed to be involved in the induction of cancer in humans: benzo[a]pyrene (BaP),4-(methylnitrosamino)-1-(3-...