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