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-
  • 2-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
  • (3-fluorophenyl){4-[(1-methyl-1H-indol-2-yl)carbonyl]piperazin-1-yl}methanone
  • 4-[({2-[4-(Trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetyl)amino]butanoic acid
  • N-(5-chloro-2,4-dimethoxyphenyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetamide
  • 3-ethyl-N-(furan-2-ylmethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
  • 4,6-dichloro-5-nitro-2,3-dihydro-1H-indole-2,3-dione
  • 3-(2-Fluorobenzyl)-1,2-benzoxazol-6-yl acetate
  • 5-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
  • 5-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-5-oxopentanamide
  • 6-(4-chlorophenyl)-N-(2-methylpropyl)pyridazin-3-amine
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