-
Name
N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-2-methylpropan-1-aminium chloride
- EINECS
- CAS No. 102489-59-8
- Density g/cm3
- Solubility
- Melting Point
- Formula C13H19 Cl N2 O . Cl H
- Boiling Point 383.3°Cat760mmHg
- Molecular Weight 291.25
- Flash Point 185.6°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Acetamide,N-(2-chloro-6-methylphenyl)-2-[(2-methylpropyl)amino]-, monohydrochloride(9CI); o-Acetotoluidide, 6'-chloro-2-isobutylamino-, hydrochloride (6CI)
- PSA
- LogP
6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride Chemical Properties
IUPAC Name: [2-(2-Chloro-6-methylanilino)-2-oxoethyl]-(2-methylpropyl)azanium chloride
Following is the structure of 6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride (CAS NO.102489-59-8):
Empirical Formula: C13H20Cl2N2O
Molecular Weight: 291.2167 g/mol
Enthalpy of Vaporization: 63.19 kJ/mol
Boiling Point: 383.3 °C at 760 mmHg
Vapour Pressure: 4.43E-06 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride (CAS NO.102489-59-8): 185.6 °C
Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[NH2+]CC(C)C.[Cl-]
InChI: InChI=1S/C13H19ClN2O.ClH/c1-9(2)7-15-8-12(17)16-13-10(3)5-4-6-11(13)14;/h4-6,9,15H,7-8H2,1-3H3,(H,16,17);1H
InChIKey: RQHKHHVVMLJTSR-UHFFFAOYSA-N
6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride Toxicity Data With Reference
| 1. | ipr-rat LD50:345 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 2. | ipr-mus LD50:390 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. | ||
| 3. | scu-mus LD50:700 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),407. |
6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride Safety Profile
Poison by intraperitoneal route. Moderately is toxic by subcutaneous route. When heated to decomposition, 6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride (CAS NO.102489-59-8) emits very toxic fumes of Cl− and NOx.
6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride Specification
6'-Chloro-2-(isobutylamino)-o-acetotoluidide, hydrochloride , its cas register number is 102489-59-8. It also can be called o-Acetotoluidide, 6'-chloro-2-(isobutylamino)-, hydrochloride . Its classification code is Drug / Therapeutic Agent.
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