methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate

Names

[ CAS No. ]:
110998-16-8

[ Name ]:
methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate

[Synonym ]:
1-Piperidinepropanoic acid,2,5-dimethyl-4-oxo-,methyl ester,trans
trans-2,5-Dimethyl-4-oxo-1-piperidinepropanoic acid methyl ester

Chemical & Physical Properties

[ Density]:
1.025g/cm3

[ Boiling Point ]:
310.8ºC at 760mmHg

[ Molecular Formula ]:
C11H19NO3

[ Molecular Weight ]:
213.27300

[ Flash Point ]:
141.8ºC

[ Exact Mass ]:
213.13600

[ PSA ]:
46.61000

[ LogP ]:
0.78680

[ Vapour Pressure ]:
0.000587mmHg at 25°C

[ Index of Refraction ]:
1.455

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN2413500
CHEMICAL NAME :
1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
CAS REGISTRY NUMBER :
110998-16-8
LAST UPDATED :
198903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H19-N-O3
MOLECULAR WEIGHT :
213.31

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 :
300 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - rigidity (including catalepsy)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,411,1987

Related Compounds