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| CAS No.: | 77-20-3 |
|---|---|
| Name: | alphaprodine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C16H23 N O2 |
| Molecular Weight: | 261.364 |
| Synonyms: | 4-Piperidinol,1,3-dimethyl-4-phenyl-, propanoate (ester), (3R,4S)-rel- (9CI); 4-Piperidinol, 1,3-dimethyl-4-phenyl-,propanoate (ester), cis-; 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate(ester) (8CI); (?à)-Alphaprodine;1,3-Dimethyl-4-phenyl-4-propionoxypiperidine; Alphaprodine; Nisintil;Prisilidin; dl-a-Prodine;a-1,3-Dimethyl-4-phenyl-4-propionoxypiperidine |
| Density: | 1.06g/cm3 |
| Melting Point: | 220-221 °C |
| Boiling Point: | 338.4°C at 760 mmHg |
| Flash Point: | 110.3°C |
| Safety: | Experimental poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Human teratogenic effects by intravenous route: developmental abnormalities of the cardiovascular system. A narcotic analgesic. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 29.54000 |
| LogP: | 2.74460 |
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Chemistry
IUPAC Name: [(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate
CAS: 77-20-3
The Molecular formula of [(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate (CAS NO.77-20-3): C16H23NO2
The Molecular Weight of [(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate (CAS NO.77-20-3): 261.3593
The Molecular Structure of [(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate (CAS NO.77-20-3):
Density: 1.06 g/cm3
Flash Point: 110.3 °C
Boiling Point: 338.4 °C at 760 mmHg
Index of Refraction: 1.535
Molar Refractivity: 76.73 cm3
Molar Volume: 246.1 cm3
Polarizability: 30.42×10-24cm3
Surface Tension: 40.4 dyne/cm
Enthalpy of Vaporization: 58.18 kJ/mol
Vapour Pressure: 9.82E-05 mmHg at 25°C
Water Solubility: 797.4(mg/L) at 25°C
Toxicity Data With Reference
| 1. | orl-rat LD50:90 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),16. | ||
| 2. | ipr-rat LD50:22 mg/kg | JMCMAR Journal of Medicinal Chemistry. 19 (1976),852. | ||
| 3. | scu-mus LD50:23 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 4. | ipr-mus LD50:73 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 5. | scu-mus LD50:98 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 6. | ivn-mus LD50:54 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. |
Safety Profile
Experimental poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Human teratogenic effects by intravenous route: developmental abnormalities of the cardiovascular system. A narcotic analgesic. When heated to decomposition it emits toxic fumes of NOx.
Specification
[(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate (CAS NO.77-20-3) with CAS number of 77-20-3 is also named as 1,3-Dimethyl-4-phenyl-4-piperidinol propanoate ; 1,3-Dimethyl-4-phenyl-4-propionoxypiperidine ; 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester), cis- ; 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate ; 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate (ester) ; Alfaprodina ; Alfaprodina [INN-Spanish] ; Alphaprodin ; Alphaprodine ; Alphaprodinum ; Alphaprodinum [INN-Latin] ; EINECS 201-011-5 ; HSDB 3283 ; Nisentil ; Prisilidene ; Prodine ; Propionic acid, alpha-1,3-dimethyl-4-phenyl-4-piperidyl ester ; UNII-001O2254AC ; Alpha-1,3-Dimethyl-4-phenyl-4-piperidinyl propionate ; Alpha-Prodinol .