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| CAS No.: | 77966-93-9 |
|---|---|
| Name: | 1-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-2,6-dimethylpiperidinium chloride |
| Molecular Structure: | |
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| Formula: | C16H23ClN2O•ClH |
| Molecular Weight: | 331.32 |
| Density: | g/cm3 |
| Boiling Point: | 421.6°Cat760mmHg |
| Flash Point: | 208.8°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-(2,6-dimethylpiperidin-1-ium-1-yl)acetamide chloride
Following is the structure of 6'-Chloro-2-(2,6-dimethylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-93-9):
Empirical Formula: C16H24Cl2N2O
Molecular Weight: 331.2806 g/mol
Enthalpy of Vaporization: 67.57 kJ/mol
Boiling Point: 421.6 °C at 760 mmHg
Vapour Pressure: 2.57E-07 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(2,6-dimethylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-93-9): 208.8 °C
Canonical SMILES: CC1CCCC([NH+]1CC(=O)NC2=C(C=CC=C2Cl)C)C.[Cl-]
InChI: InChI=1S/C16H23ClN2O.ClH/c1-11-6-4-9-14(17)16(11)18-15(20)10-19-12(2)7-5-8-13(19)3;/h4,6,9,12-13H,5,7-8,10H2,1-3H3,(H,18,20);1H
InChIKey: YRODETAUVQZTCC-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-rat LD50:72 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | ipr-mus LD50:77 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 4. | scu-mus LD50:180 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-(2,6-dimethylpiperidino)-o-acetotoluidide, hydrochloride (CAS NO.77966-93-9) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(2,6-dimethylpiperidino)-o-acetotoluidide, hydrochloride , its cas register number is 77966-93-9. It also can be called o-Acetotoluidide, 6'-chloro-2-(2,6-dimethylpiperidino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.