1-Piperidineacetonitrile,a-phenyl-

Modify Date: 2025-09-25 17:54:54

1-Piperidineacetonitrile,a-phenyl- Structure
1-Piperidineacetonitrile,a-phenyl- structure
Common Name 1-Piperidineacetonitrile,a-phenyl-
CAS Number 5766-79-0 Molecular Weight 200.28000
Density 1.074g/cm3 Boiling Point 296.1ºC at 760mmHg
Molecular Formula C13H16N2 Melting Point 62ºC
MSDS N/A Flash Point 118.1ºC

 Names

Name 2-phenyl-2-piperidin-1-ylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.074g/cm3
Boiling Point 296.1ºC at 760mmHg
Melting Point 62ºC
Molecular Formula C13H16N2
Molecular Weight 200.28000
Flash Point 118.1ºC
Exact Mass 200.13100
PSA 27.03000
LogP 2.67508
Index of Refraction 1.56
InChIKey IXQJQHORYHYKBD-UHFFFAOYSA-N
SMILES N#CC(c1ccccc1)N1CCCCC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1800000
CHEMICAL NAME :
Acetonitrile, 2-phenyl-2-piperidino-
CAS REGISTRY NUMBER :
5766-79-0
BEILSTEIN REFERENCE NO. :
0168026
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2
MOLECULAR WEIGHT :
200.31
WISWESSER LINE NOTATION :
T6NTJ AYR&CN

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 :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Synthetic Route

 Synonyms

ACETONITRILE,2-PHENYL-2-PIPERIDINO
1-(a-Cyanobenzyl)-piperidine
Phenyl(1-piperidinyl)acetonitril
2-phenyl-2-(piperidin-1-yl)acetonitrile
2-Phenyl-2-piperidinoacetonitrile
2-piperidino-2-phenylacetonitrile
2-(N-piperidino)-2-phenylacetonitrile
(+/-)-2-phenyl-2-(1-piperidinyl)ethanenitrile
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