1-Piperidinebutyronitrile

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Names

[ CAS No. ]:
4672-18-8

[ Name ]:
1-Piperidinebutyronitrile

[Synonym ]:
Methyl 4-(piperidin-1-yl)benzoate
4-piperidino-butyronitrile
methyl 4-piperidylbenzoate
4-piperidin-1-yl-benzoic acid methyl ester
1-Piperidinebutanenitrile
4-Piperidino-benzoesaeure-methylester
4-Piperidino-butyronitril
4-(piperidin-1-yl)butyronitrile
methylpiperidinobenzenecarboxylate
4-piperidin-1-yl-butanenitrile
Methyl 4-piperidinobenzenecarboxylate

Chemical & Physical Properties

[ Density]:
0.942g/cm3

[ Boiling Point ]:
268.8ºC at 760 mmHg

[ Molecular Formula ]:
C9H16N2

[ Molecular Weight ]:
152.23700

[ Flash Point ]:
109.6ºC

[ Exact Mass ]:
152.13100

[ PSA ]:
27.03000

[ LogP ]:
1.71398

[ Index of Refraction ]:
1.47

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM5630000
CHEMICAL NAME :
1-Piperidinebutyronitrile
CAS REGISTRY NUMBER :
4672-18-8
BEILSTEIN REFERENCE NO. :
0110495
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H16-N2
MOLECULAR WEIGHT :
152.27
WISWESSER LINE NOTATION :
T6NTJ A3CN

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#07823

Safety Information

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Piperidine
  • 4-Bromobutanenitrile

DownStream

  • 4-(PIPERIDIN-1-YL)BUTAN-1-AMINE
  • 4-(1-Piperidinyl)butanoic acid

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • α-(1-Naphtyl)-1-piperidinebutyronitrile
  • 4-Formyl-4-phenyl-1-piperidinebutyronitrile
  • 4-Methyl-α-(phenylmethyl)-α-(2-thienyl)-1-piperidinebutyronitrile
  • 2,6-Dimethyl-α-(phenylmethyl)-α-(2-thienyl)-1-piperidinebutyronitrile
  • 4-Ethoxycarbonyl-α,α,4-triphenyl-1-piperidinebutyronitrile, hydrochloride
  • 1-Piperidinebutyronitrile, 4-methyl-alpha-(1-methylethyl)-alpha-2-thie nyl-
  • 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)-
  • 3-(4-Bromo-2-chlorophenyl)pyrrolidine
  • (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
  • 6-(4-(ethylsulfonyl)piperazin-1-yl)-N,N-dimethylpyridazin-4-amine