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Basic Information
CAS No.: 102489-53-2
Name: 2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(octyl)amino]-N,N-diethylethanaminium chloride
Molecular Structure:
Molecular Structure of 102489-53-2 (2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(octyl)amino]-N,N-diethylethanaminium chloride)
Formula: C23H40 Cl N3 O . Cl H
Molecular Weight: 446.57
Synonyms: Acetamide,N-(2-chloro-6-methylphenyl)-2-[[2-(diethylamino)ethyl]octylamino]-,monohydrochloride (9CI)
Density: g/cm3
Boiling Point: 511.4°Cat760mmHg
Flash Point: 263.1°C
Safety: Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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  • 2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(octyl)amino]-N,N-diethylethanaminium chloride

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Chemistry

IUPAC Name: 2-[[2-(2-Chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride
Following is the structure of 6'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochloride (CAS NO.102489-53-2):
                          
Empirical Formula: C23H41Cl2N3O
Molecular Weight: 446.4971 g/mol
Enthalpy of Vaporization: 78.24 kJ/mol
Boiling Point: 511.4 °C at 760 mmHg
Vapour Pressure: 1.42E-10 mmHg at 25 °C
Flash Point of 6'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochloride (CAS NO.102489-53-2): 263.1 °C
Canonical SMILES: CCCCCCCCN(CC[NH+](CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C23H40ClN3O.ClH/c1-5-8-9-10-11-12-16-27(18-17-26(6-2)7-3)19-22(28)25-23-20(4)14-13-15-21(23)24;/h13-15H,5-12,16-19H2,1-4H3,(H,25,28);1H
InChIKey: HHYZSQFKJRAXII-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% SEV

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.
2.    

ipr-rat LD50:98 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.
3.    

scu-mus LD50:260 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),167.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition, 6'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochloride emits very toxic fumes of Cl− and NOx.

Specification

 6'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochloride , its cas register number is 102489-53-2. It also can be called o-Acetotoluidide, 6'-chloro-2-((2-(diethylamino)ethyl)octylamino)-, hydrochloride . Its classification code Drug / Therapeutic Agent and Skin / Eye Irritant.