2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile

Modify Date: 2025-09-12 20:31:41

2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile Structure
2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile structure
 Common Name 2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile
CAS Number 37672-97-2 Molecular Weight 220.26800
Density 1.076g/cm3 Boiling Point 318.3ºC at 760 mmHg
Molecular Formula C12H16N2O2 Melting Point N/A
MSDS N/A Flash Point 146.3ºC

 Names

Name 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)acetonitrile

 Chemical & Physical Properties

Density 1.076g/cm3
Boiling Point 318.3ºC at 760 mmHg
Molecular Formula C12H16N2O2
Molecular Weight 220.26800
Flash Point 146.3ºC
Exact Mass 220.12100
PSA 45.49000
LogP 1.83008
Index of Refraction 1.518
InChIKey WXKMESAFVQHWPP-UHFFFAOYSA-N
SMILES COc1ccc(C(C#N)N(C)C)cc1OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL9330000
CHEMICAL NAME :
Acetonitrile, (3,4-dimethoxyphenyl)(dimethylamino)-
CAS REGISTRY NUMBER :
37672-97-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-N2-O2
MOLECULAR WEIGHT :
220.30
WISWESSER LINE NOTATION :
1OR BO1 DYCN&N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07282

 Synthetic Route

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Dimethylamine hydrochloride structure

Dimethylamine h...

CAS#:506-59-2

veratraldehyde structure

veratraldehyde

CAS#:120-14-9

~%

2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile Structure

2-(3,4-dimethox...

CAS#:37672-97-2

Literature: Badia, D.; Dominguez, E.; Galarza, J.; Lete, E.; Marigorta, E. Martinez de; Villa, M. J. Bulletin des Societes Chimiques Belges, 1989 , vol. 98, # 1 p. 77 - 82
POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

veratraldehyde structure

veratraldehyde

CAS#:120-14-9

Dimethylamine structure

Dimethylamine

CAS#:124-40-3

~%

2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile Structure

2-(3,4-dimethox...

CAS#:37672-97-2

Literature: Thies; Schoenenberger; el-Zanaty Arzneimittel-Forschung, 1972 , vol. 22, # 7 p. 1138 - 1144
Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

veratraldehyde structure

veratraldehyde

CAS#:120-14-9

Dimethylamine structure

Dimethylamine

CAS#:124-40-3

~%

2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile Structure

2-(3,4-dimethox...

CAS#:37672-97-2

Literature: Crossley,R.; Curran,C.W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1974 , p. 2327 - 2330
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Chemsrc provides CAS#:37672-97-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile>> amp version: 2-(3,4-dimethoxyphenyl)-2-dimethylamino-acetonitrile

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