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77966-51-9

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Basic Information
CAS No.: 77966-51-9
Name: 2-[(2-chloro-6-methylphenyl)(methyl)amino]-N,N-diethyl-2-oxoethanaminium chloride
Molecular Structure:
Molecular Structure of 77966-51-9 (2-[(2-chloro-6-methylphenyl)(methyl)amino]-N,N-diethyl-2-oxoethanaminium chloride)
Formula: C14H21ClN2O•ClH
Molecular Weight: 305.28
Density: g/cm3
Boiling Point: 380.8°Cat760mmHg
Flash Point: 184.1°C
Safety: Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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  • [2-(2-chloro-N,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride

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    [2-(2-chloro-N,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride

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Chemistry

IUPAC Name: [2-(2-Chloro-N,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride 
Following is the structure of 6'-Chloro-2-(diethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-51-9):
                           
Molecular Formula: C14H22Cl2N2O
Molecular Weight: 305.24328 g/mol
Enthalpy of Vaporization: 62.9 kJ/mol
Boiling Point: 380.8 °C at 760 mmHg
Vapour Pressure: 5.3E-06 mmHg at 25 °C
Flash Point of 6'-Chloro-2-(diethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-51-9): 184.1 °C
Canonical SMILES: CC[NH+](CC)CC(=O)N(C)C1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C14H21ClN2O.ClH/c1-5-17(6-2)10-13(18)16(4)14-11(3)8-7-9-12(14)15;/h7-9H,5-6,10H2,1-4H3;1H
InChIKey: UTBLFPVOBAXWQC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:136 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
2.    

scu-mus LD50:305 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. When heated to decomposition, 6'-Chloro-2-(diethylamino)-N-methyl-o-acetotoluidide hydrochloride (CAS NO.77966-51-9) emits very toxic fumes of Cl− and NOx.

Specification

 6'-Chloro-2-(diethylamino)-N-methyl-o-acetotoluidide hydrochloride , its cas register number is 77966-51-9. It also can be called o-Acetotoluidide, 6'-chloro-2-(diethylamino)-N-methyl-, hydrochloride . Its classification code is Drug / Therapeutic Agent.