4-(dimethylamino)-2-phenylbutyronitrile

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Names

[ CAS No. ]:
50599-78-5

[ Name ]:
4-(dimethylamino)-2-phenylbutyronitrile

[Synonym ]:
1-cyano-1-phenyl-3-dimethylamino-propane
EINECS 256-642-9
4-dimethylamino-2-phenylbutanenitrile
BUTYRONITRILE,4-DIMETHYLAMINO-2-PHENYL

Chemical & Physical Properties

[ Density]:
0.992g/cm3

[ Boiling Point ]:
294.5ºC at 760 mmHg

[ Molecular Formula ]:
C12H16N2

[ Molecular Weight ]:
188.26900

[ Flash Point ]:
118ºC

[ Exact Mass ]:
188.13100

[ PSA ]:
27.03000

[ LogP ]:
2.24548

[ Index of Refraction ]:
1.523

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET9845000
CHEMICAL NAME :
Butyronitrile, 4-dimethylamino-2-phenyl-
CAS REGISTRY NUMBER :
50599-78-5
BEILSTEIN REFERENCE NO. :
2805419
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-N2
MOLECULAR WEIGHT :
188.30
WISWESSER LINE NOTATION :
NCYR&2N1&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 :
100 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#00368

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-(dimethylamino)-2-phenylbutanal oxime
  • Benzyl cyanide
  • 2-Chloroethyldimethylamine
  • N,N-dimethyl-3-phenylprop-2-en-1-amine
  • Dimethylamine

DownStream

  • BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-(2-(DIMETHYLAMINO)ETHYL)-2-PHENYL-
  • 3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
  • Pheniramine
  • 1-methyl-4-phenylpiperidine-4-carbonitrile
  • 1-dimethylamino-3-phenylpropane
  • Benzeneacetic acid, a-[2-(dimethylamino)ethyl]-, ethylester
  • alpha-[2-(dimethylamino)ethyl]-alpha-phenylpyridine-2-acetonitrile
  • 4-Dimethylamino-2-phenyl-butanoic acid
  • 1,1-Dimethyl-4-phenyl-1lambda(5)-azepane-4-carbonitrile
  • 1-Dimethylamino-3-phenyl-4-hexanone

Related Compounds

  • 4-(dimethylamino)-2-methyl-2-phenylbutanenitrile
  • 4-dimethylamino-2-ethyl-2-phenyl-butanenitrile
  • 4-(Dimethylamino)-2-hydroxybenzoic acid
  • 4-(dimethylamino)-2,2-diphenylbutanamide
  • 4-(dimethylamino)-2-ethoxybenzoic acid
  • 4-(dimethylamino)-2-nitrobenzohydrazide