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| CAS No.: | 77966-63-3 |
|---|---|
| Name: | 1-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-2-methylpiperidinium chloride |
| Molecular Structure: | |
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| Formula: | C15H21ClN2O•ClH |
| Molecular Weight: | 317.29 |
| Density: | g/cm3 |
| Boiling Point: | 415.8°Cat760mmHg |
| Flash Point: | 205.3°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. An eye irritant. 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)-2-(2-methylpiperidin-1-ium-1-yl)acetamide chloride
Following is the structure of 6'-Chloro-2-(2-methylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-63-3):
Empirical Formula: C15H22Cl2N2O
Molecular Weight: 317.254 g/mol
Enthalpy of Vaporization: 66.9 kJ/mol
Boiling Point: 415.8 °C at 760 mmHg
Vapour Pressure: 4E-07 mmHg at 25 °C
Flash Pointof 6'-Chloro-2-(2-methylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-63-3): 205.3 °C
Canonical SMILES: CC1CCCC[NH+]1CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-]
InChI: InChI=1S/C15H21ClN2O.ClH/c1-11-6-5-8-13(16)15(11)17-14(19)10-18-9-4-3-7-12(18)2;/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,19);1H
InChIKey: MZJVBBMILYWYPO-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-rat LD50:77 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | ipr-mus LD50:110 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 4. | scu-mus LD50:139 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition, 6'-Chloro-2-(2-methylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-63-3) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(2-methylpiperidino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-63-3. It also can be called o-Acetotoluidide, 6'-chloro-2-(2-methylpiperidino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.