Cyclohexanecarbonitrile,1-(1-pyrrolidinyl)-

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Names

[ CAS No. ]:
22912-25-0

[ Name ]:
Cyclohexanecarbonitrile,1-(1-pyrrolidinyl)-

[Synonym ]:
1-pyrrolidinocyclohexanecarbonitrile
Cyclohexanecarbonitrile,1-pyrrolidino
Cyclohexanecarbonitrile,1-(1-pyrrolidinyl)
2-pyrrolidin-1-ylcyclohexanecarbonitrile
1-(1-Cyanocyclohexyl)-pyrrolidine
1-pyrrolidin-1-yl-cyclohexanecarbonitrile

Chemical & Physical Properties

[ Density]:
1.02g/cm3

[ Boiling Point ]:
291.3ºC at 760mmHg

[ Molecular Formula ]:
C11H18N2

[ Molecular Weight ]:
178.27400

[ Flash Point ]:
119.2ºC

[ Exact Mass ]:
178.14700

[ PSA ]:
27.03000

[ LogP ]:
2.24658

[ Vapour Pressure ]:
0.00196mmHg at 25°C

[ Index of Refraction ]:
1.518

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU7740000
CHEMICAL NAME :
Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-
CAS REGISTRY NUMBER :
22912-25-0
BEILSTEIN REFERENCE NO. :
1367051
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H18-N2
MOLECULAR WEIGHT :
178.31
WISWESSER LINE NOTATION :
T5NTJ A- AL6TJ ACN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 2,16,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 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#03415

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pyrrolidine
  • Trimethylsilyl cyanide
  • Cyclohexanone
  • Sodium cyanide
  • POTASSIUM CYANIDE

DownStream

  • 1-pyrrolidinocyclohexene

Related Compounds

  • Cyclohexanecarbonitrile, 1-(1-methylethyl)- (9CI)
  • 4-[1-(1-Pyrrolidinyl)ethyl]piperidine
  • {4-[1-(1-Pyrrolidinyl)ethyl]phenyl}boronic acid
  • dimethyl 1-(1-pyrrolidinyl)bicyclo<3.2.0>hept-6-ene-6,7-dicarboxylate
  • Piperazine, 1-(1-pyrrolidinyl)- (9CI)
  • (E)-1-(1-pyrrolidinyl)-2-nitro-2-[2-(methylthio)phenyl]ethene
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine