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102489-55-4

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Basic Information
CAS No.: 102489-55-4
Name: 2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(propyl)amino]-N,N-diethylethanaminium chloride
Molecular Structure:
Molecular Structure of 102489-55-4 (2-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}(propyl)amino]-N,N-diethylethanaminium chloride)
Formula: C18H30 Cl N3 O . Cl H
Molecular Weight: 376.42
Synonyms: Acetamide,N-(2-chloro-6-methylphenyl)-2-[[2-(diethylamino)ethyl]propylamino]-,monohydrochloride (9CI)
Density: g/cm3
Boiling Point: 449.3°Cat760mmHg
Flash Point: 225.5°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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  • 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-propylamino]ethyl-diethylazanium chloride

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    102489-55-4

    2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-propylamino]ethyl-diethylazanium chloride

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Chemistry

IUPAC Name: 2-[[2-(2-Chloro-6-methylanilino)-2-oxoethyl]-propylamino]ethyl-diethylazanium chloride 
Following is the structure of 6'-Chloro-2-((2-(diethylamino)ethyl)propylamino)-o-acetotoluidide hydrochloride (CAS NO.102489-55-4):
                                   
Empirical Formula: C18H31Cl2N3O
Molecular Weight: 376.3642 g/mol
Enthalpy of Vaporization: 70.79 kJ/mol
Boiling Point: 449.3 °C at 760 mmHg
Vapour Pressure: 2.9E-08 mmHg at 25 °C
Flash Point of 6'-Chloro-2-((2-(diethylamino)ethyl)propylamino)-o-acetotoluidide hydrochloride (CAS NO.102489-55-4): 225.5 °C
Canonical SMILES: CCCN(CC[NH+](CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C18H30ClN3O.ClH/c1-5-11-22(13-12-21(6-2)7-3)14-17(23)20-18-15(4)9-8-10-16(18)19;/h8-10H,5-7,11-14H2,1-4H3,(H,20,23);1H
InChIKey: SZLPCPVKQKRUBE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% MLD

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

ipr-rat LD50:28 mg/kg

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

scu-mus LD50:74 mg/kg

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

Safety Profile

Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition, 6'-Chloro-2-((2-(diethylamino)ethyl)propylamino)-o-acetotoluidide hydrochloride (CAS NO.102489-55-4) emits very toxic fumes of Cl− and NOx.

Specification

 6'-Chloro-2-((2-(diethylamino)ethyl)propylamino)-o-acetotoluidide hydrochloride , its cas register number is 102489-55-4. It also can be called o-Acetotoluidide, 6'-chloro-2-((2-(diethylamino)ethyl)propylamino)-, hydrochloride . Its classification code are Drug / Therapeutic Agent and Skin / Eye Irritant.