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| CAS No.: | 77985-17-2 |
|---|---|
| Name: | 1-[(2-chloro-6-methylphenyl)amino]-1-oxo-N-propylbutan-2-aminium chloride |
| Molecular Structure: | |
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| Formula: | C14H21ClN2O•ClH |
| Molecular Weight: | 305.28 |
| Boiling Point: | 396.6°C at 760 mmHg |
| Flash Point: | 193.7°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: [1-(2-Chloro-6-methylanilino)-1-oxobutan-2-yl]-propylazanium chloride
Following is the structure of 6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride (CAS NO.77985-17-2):
Empirical Formula: C14H22Cl2N2O
Molecular Weight: 305.2433 g/mol
Enthalpy of Vaporization: 64.7 kJ/mol
Boiling Point: 396.6 °C at 760 mmHg
Vapour Pressure: 1.68E-06 mmHg at 25°C
Flash Point of 6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride (CAS NO.77985-17-2): 193.7 °C
Canonical SMILES: CCC[NH2+]C(CC)C(=O)NC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C14H21ClN2O.ClH/c1-4-9-16-12(5-2)14(18)17-13-10(3)7-6-8-11(13)15;/h6-8,12,16H,4-5,9H2,1-3H3,(H,17,18);1H
InChIKey: BDCFRQJLCIAEOS-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. | ||
| 2. | ipr-rat LD50:34 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. | ||
| 3. | scu-mus LD50:57 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition, 6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride (CAS NO.77985-17-2) emits very toxic fumes of Cl− and NOx.
Specification
6'-Chloro-2-(propylamino)-o-butyrotoluidide hydrochloride , its cas register number is 77985-17-2. It also can be called o-Butyrotoluidide, 6'-chloro-2-(propylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.