CAS No.69-44-3,Acrichin dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69-44-3
Name:	Acrichin dihydrochloride
Article Data:	2

Formula:	C₂₀H₂₂ClN₃O^.2(HCl)
Molecular Weight:	428.789
Synonyms:	Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, dihydrochloride(9CI);o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-a-(diethylamino)-, dihydrochloride (7CI,8CI);4-(7-Chloro-4-quinolylamino)-a-(diethylamino)-o-cresol dihydrochloride;7-Chloro-4-(3'-diethylaminomethyl-4'-hydroxyanilino)quinoline dihydrochloride;Amodiaquine dihydrochloride;Amodiaquinehydrochloride;Basoquine;Camoquin hydrochloride;
EINECS:	200-706-0
Boiling Point:	478 °C at 760 mmHg
Flash Point:	242.9 °C
PSA:	48.39000
LogP:	6.05420

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Specification

The CAS register number of Acrichin dihydrochloride is 69-44-3. It also can be called as o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, dihydrochloride and the IUPAC name about this chemical is 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol dihydrochloride. The molecular formula about this chemical is C₂₀H₂₂ClN₃O.2(HCl) and the molecular weight is 428.78. This chemical is a 4-aminoquinoquinoline compound with anti-inflammatory properties.

Physical properties about Acrichin dihydrochloride are: (1)ACD/LogP: 3.79; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 2.17; (7)ACD/KOC (pH 7.4): 18.41; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 28.6Å²; (12)Flash Point: 242.9 °C; (13)Enthalpy of Vaporization: 77.03 kJ/mol; (14)Boiling Point: 478 °C at 760 mmHg; (15)Vapour Pressure: 9.27E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC
(2)InChI: InChI=1/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H
(3)InChIKey: ROEBJVHPINPMKL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H
(5)Std. InChIKey: ROEBJVHPINPMKL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	137mg/kg (137mg/kg)		Journal of Medicinal Chemistry. Vol. 24, Pg. 1471, 1981.
women	TDLo	oral	52mg/kg/13W-I (52mg/kg)	BLOOD: AGRANULOCYTOSIS	British Medical Journal. Vol. 292, Pg. 717, 1986.