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102489-59-8

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Basic Information
CAS No.: 102489-59-8
Name: N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-2-methylpropan-1-aminium chloride
Molecular Structure:
Molecular Structure of 102489-59-8 (N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}-2-methylpropan-1-aminium chloride)
Formula: C13H19 Cl N2 O . Cl H
Molecular Weight: 291.25
Synonyms: Acetamide,N-(2-chloro-6-methylphenyl)-2-[(2-methylpropyl)amino]-, monohydrochloride(9CI); o-Acetotoluidide, 6'-chloro-2-isobutylamino-, hydrochloride (6CI)
Density: g/cm3
Boiling Point: 383.3°Cat760mmHg
Flash Point: 185.6°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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  • [2-(2-chloro-6-methylanilino)-2-oxoethyl]-(2-methylpropyl)azaniumchloride

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    [2-(2-chloro-6-methylanilino)-2-oxoethyl]-(2-methylpropyl)azaniumchloride

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  • Acetamide,N-(2-chloro-6-methylphenyl)-2-[(2-methylpropyl)amino]-, hydrochloride (1:1)

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    Acetamide,N-(2-chloro-6-methylphenyl)-2-[(2-methylpropyl)amino]-, hydrochloride (1:1)

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Chemistry

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

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.

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.

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.