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4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride

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Name

4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride

EINECS N/A
CAS No. 4465-92-3 Density 1.324g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C21H22Cl3N3 Boiling Point 607.9°C at 760 mmHg
Molecular Weight 422.7785 Flash Point 321.4°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Cl and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 4465-92-3 (N-(2-{4-[bis(2-chloroethyl)amino]phenyl}ethyl)-7-chloroquinolin-4-amine) Hazard Symbols N/A
Synonyms

N/A

 

4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride Chemical Properties

The Molecular Structure of  4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride (CAS NO.4465-92-3):

Molecular Formula: C21H23Cl4N3
Molecular Weight: 459.239420 g/mol
IUPAC: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloroquinolin-4-amine hydrochloride
Flash Point: 321.4 °C
Enthalpy of Vaporization: 90.33 kJ/mol
Boiling Point: 607.9 °C at 760 mmHg
Vapour Pressure: 1.01E-14 mmHg at 25°C
InChI
InChI=1/C21H22Cl3N3.ClH/c22-9-13-27(14-10-23)18-4-1-16(2-5-18)7-11-25-20-8-12-26-21-15-17(24)3-6-19(20)21;/h1-6,8,12,15H,7,9-11,13-14H2,(H,25,26);1H
Smiles
c12c(cc(cc1)Cl)nccc2NCCc1ccc(cc1)N(CCCl)CCCl.Cl

4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride Toxicity Data With Reference

1.    

ivn-dog LDLo:11 mg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),202.
2.    

ivn-mky LDLo:11 mg/kg

    CCSUBJ    Cancer Chemotherapy Reports, Part 2. 2 (1965),202.

4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Cl and NOx.

4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride Specification

 4-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochloride (CAS NO.4465-92-3) is also called as  Chloroquine-ethyl phenyl mustard ; NSC-50982 ; Quinoline, 4-(p-bis(2-chloroethyl)aminophenylethylamino)-7-chloro-, monohydrochloride ; Quinoline, 7-chloro-4-((p-(bis(2-chloroethyl)amino)phenethyl)amino)-, monohydrochloride (8CI) .

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