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3545-67-3

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Basic Information
CAS No.: 3545-67-3
Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride
Molecular Structure:
Molecular Structure of 3545-67-3 (N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride)
Formula: C18H26 Cl N3 . 2 Cl H
Molecular Weight: 392.799
Synonyms: 1,4-Pentanediamine,N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, dihydrochloride (9CI); Quinoline,7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-, dihydrochloride (8CI);7-Chloro-4-(4-diethylamino-1-methylbutylamino)quinoline dihydrochloride; Aralenhydrochloride; Chloroquine dihydrochloride; Chloroquine hydrochloride
Density: g/cm3
Boiling Point: 460.6°Cat760mmHg
Flash Point: 232.3°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
PSA: 28.16000
LogP: 6.48760
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    Chloroquine Dihydrochloride

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Chemistry

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine dihydrochloride
Synonyms of Chloroquine dihydrochloride (CAS NO.3545-67-3): Chloroquine hydrochloride [USAN] ;  4-((4-Amino-1-methylbutyl)amino)-7-chloroquinoline dihydrochloride ; 7-(Chloro-4-((4-diethylamino)-1-methylbutyl)amino)quinoline dihydrochloride ; Aralen hydrochloride ; Chloroquine HCl ; Chloroquine hydrochloride ; EINECS 222-592-1 ; UNII-NT0J0815S5 ; 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, dihydrochloride ; 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, dihydrochloride (9CI) ; N4-(7-Chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride ; Quinoline, 4-((4-amino-1-methylbutyl)amino)-7-chloro-, dihydrochloride
CAS NO: 3545-67-3  
Molecular Formula of Chloroquine dihydrochloride (CAS NO.3545-67-3): C18H28Cl3N3
Molecular Weight: 392.794
Molecular Structure:

H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 19.37 Å2
Flash Point of Chloroquine dihydrochloride (CAS NO.3545-67-3): 232.3 °C
Enthalpy of Vaporization: 72.13 kJ/mol
Boiling Point: 460.6 °C at 760 mmHg
Vapour Pressure: 1.15E-08 mmHg at 25°C

Toxicity Data With Reference

1.    

add-unr-lym 11 µmol/L

     JMCMAR    Journal of Medicinal Chemistry. 21 (1978),658.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.