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| CAS No.: | 78218-42-5 |
|---|---|
| Name: | N-(2-chloro-6-methylphenyl)-3-(2-methylpiperidin-1-yl)propanamide hydrochloride |
| Molecular Structure: | |
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| Formula: | C16H23ClN2O•ClH |
| Molecular Weight: | 331.32 |
| Boiling Point: | 441.1°C at 760 mmHg |
| Flash Point: | 220.6°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
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Chemistry
IUPAC Name: N-(2-Chloro-6-Methylphenyl)-3-(2-methylpiperidin-1-yl)propanamide hydrochloride
Following is the structure of 6'-Chloro-3-(2-methylpiperidino)-o-propionotoluidide hydrochloride (CAS NO.78218-42-5):
Empirical Formula: C16H24Cl2N2O
Molecular Weight: 331.2806 g/mol
Enthalpy of Vaporization: 69.83 kJ/mol
Boiling Point: 441.1 °C at 760 mmHg
Vapour Pressure: 5.6E-08 mmHg at 25 °C
Flash Point of 6'-Chloro-3-(2-methylpiperidino)-o-propionotoluidide hydrochloride (CAS NO.78218-42-5): 220.6 °C
Canonical SMILES: CC1CCCCN1CCC(=O)NC2=C(C=CC=C2Cl)C.Cl
InChI: InChI=1S/C16H23ClN2O.ClH/c1-12-6-5-8-14(17)16(12)18-15(20)9-11-19-10-4-3-7-13(19)2;/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,20);1H
InChIKey: YANBHBCABCKYED-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:39 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. | ||
| 2. | scu-mus LD50:36 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. When heated to decomposition, 6'-Chloro-3-(2-methylpiperidino)-o-propionotoluidide hydrochloride (CAS NO.78218-42-5) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-3-(2-methylpiperidino)-o-propionotoluidide hydrochloride , its cas register number is 78218-42-5. It also can be called o-Propionotoluidide, 6'-chloro-3-(2-methylpiperidino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.