alpha-Cyano-1-piperidineacrylic acid ethyl ester

Modify Date: 2024-01-19 21:05:21

alpha-Cyano-1-piperidineacrylic acid ethyl ester Structure
alpha-Cyano-1-piperidineacrylic acid ethyl ester structure
Common Name alpha-Cyano-1-piperidineacrylic acid ethyl ester
CAS Number 6630-63-3 Molecular Weight 208.25700
Density 1.159g/cm3 Boiling Point 317.8ºC at 760 mmHg
Molecular Formula C11H16N2O2 Melting Point N/A
MSDS N/A Flash Point 146ºC

 Names

Name ethyl (Z)-2-cyano-3-piperidin-1-ylprop-2-enoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.159g/cm3
Boiling Point 317.8ºC at 760 mmHg
Molecular Formula C11H16N2O2
Molecular Weight 208.25700
Flash Point 146ºC
Exact Mass 208.12100
PSA 53.33000
LogP 1.38078
Index of Refraction 1.556
InChIKey YDZMLTKHIFXYLM-MDZDMXLPSA-N
SMILES CCOC(=O)C(C#N)=CN1CCCCC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM4021000
CHEMICAL NAME :
1-Piperidineacrylic acid, alpha-cyano-, ethyl ester
CAS REGISTRY NUMBER :
6630-63-3
LAST UPDATED :
198909
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N2-O2
MOLECULAR WEIGHT :
208.29
WISWESSER LINE NOTATION :
T6NTJ A1UYCN&VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,68,1964

 Synthetic Route

~71%

alpha-Cyano-1-piperidineacrylic acid ethyl ester Structure

alpha-Cyano-1-p...

CAS#:6630-63-3

Literature: Darwisha, Elham S.; Abdelrahmana, Mahmoud A.; Salaheldin, Abdellatif M. Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 2011 , vol. 66, # 6 p. 597 - 602

 Synonyms

Piperidinomethylen-cyanessigsaeureaethylester
2-cyano-3-piperidin-1-yl-acrylic acid ethyl ester
1H-Pyrrole-2-carbonitrile,3-phenyl
2-Cyano-3-phenyl-pyrrol
3-Piperidino-2-cyan-acrylsaeureaethylester
3-phenyl-pyrrole-2-carbonitrile
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