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69782-43-0

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Basic Information
CAS No.: 69782-43-0
Name: 2,6-dimethyl-1-{3-[(pyridin-3-ylcarbonyl)oxy]propyl}piperidinium chloride
Molecular Structure:
Molecular Structure of 69782-43-0 (2,6-dimethyl-1-{3-[(pyridin-3-ylcarbonyl)oxy]propyl}piperidinium chloride)
Formula: C16H24N2O2•ClH
Molecular Weight: 312.88
Boiling Point: 387°C at 760 mmHg
Flash Point: 187.9°C
Safety: Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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Chemistry

Empirical Formula of Nicotinic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS NO.69782-43-0): C16H25ClN2O2
Molecular Weight: 312.8349 
Flash Point: 187.9 °C
Enthalpy of Vaporization: 63.6 kJ/mol
Boiling Point: 387 °C at 760 mmHg
Vapour Pressure: 3.4E-06 mmHg at 25 °C
Structure of Nicotinic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS NO.69782-43-0):
                          
IUPAC Name: 3-(2,6-Dimethylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride
Canonical SMILES: CC1CCCC([NH+]1CCCOC(=O)C2=CN=CC=C2)C.[Cl-]
InChI: InChI=1S/C16H24N2O2.ClH/c1-13-6-3-7-14(2)18(13)10-5-11-20-16(19)15-8-4-9-17-12-15;/h4,8-9,12-14H,3,5-7,10-11H2,1-2H3;1H
InChIKey: CZZWJIAMGODAJF-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

scu-mus LD50:330 mg/kg

     JACSAT    Journal of the American Chemical Society. 68 (1946),2592.
2.    

ivn-mus LD50:115 mg/kg

     JACSAT    Journal of the American Chemical Society. 68 (1946),2592.

Safety Profile

Poison by subcutaneous and intravenous routes. When heated to decomposition Nicotinic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS NO.69782-43-0) emits very toxic fumes of HCl and NOx.

Specification

 Nicotinic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride , its cas register number is 69782-43-0. It also can be called CID50881 ; and 3-Pyridinecarboxylic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride .