Empirical Formula of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS NO.69782-42-9): C15H23ClN2O2
Molecular Weight: 298.8083
Flash Point: 183.4 °C
Enthalpy of Vaporization: 62.77 kJ/mol
Boiling Point: 379.6 °C at 760 mmHg
Vapour Pressure: 5.77E-06 mmHg at 25 °C
Structure of Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS NO.69782-42-9):
IUPAC Name: 3-(2-Methylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride
Canonical SMILES: CC1CCCC[NH+]1CCCOC(=O)C2=CN=CC=C2.[Cl-]
InChI: InChI=1S/C15H22N2O2.ClH/c1-13-6-2-3-9-17(13)10-5-11-19-15(18)14-7-4-8-16-12-14;/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3;1H
InChIKey: FJKDWSGEIKODMU-UHFFFAOYSA-N
1. | scu-mus LD50:500 mg/kg | JACSAT Journal of the American Chemical Society. 68 (1946),2592. | ||
2. | ivn-mus LD50:100 mg/kg | JACSAT Journal of the American Chemical Society. 68 (1946),2592. |
Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS NO.69782-42-9) emits very toxic fumes of HCl and NOx. See also ESTERS.
Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride , its cas register number is 69782-42-9. It also can be called CID50880 ; and 3-Pyridinecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride .
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