Basic information
- Name:
Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride,hydrate (1:2:2)
- Superlist Name:
- Amodiaquin dihydrochloride dihydrate
- CAS No.:
6398-98-7
- Molecular Structure:
![Molecular Structure of 6398-98-7 (Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride,hydrate (1:2:2))](http://www.lookchem.com/300w/2010/0623/6398-98-7.jpg)
- Formula:
- C20H22ClN3O.2HCl.2H2O
- Molecular Weight:
- 464.81
- Synonyms:
- Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, dihydrochloride,dihydrate (9CI);o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-a-(diethylamino)-,dihydrochloride, dihydrate (8CI);Amodiaquin dihydrochloride dihydrate;Amodiaquine dihydrochloride dihydrate;
- EINECS:
- 200-706-0
- Boiling Point:
- 478 °C at 760 mmHg
- Flash Point:
- 242.9 °C
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Chemistry
Molecular Structure of Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride,hydrate (1:2:2) (CAS No. 6398-98-7):
IUPAC Name: 4-[(7-Chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol dihydrate dihydrochloride
Molecular Formula: C20H22ClN3O.2(HCl).2(H2O)
Molecular Weight: 464.81
CAS Registry Number: 6398-98-7
Flash Point: 242.9 °C
Enthalpy of Vaporization: 77.03 kJ/mol
Boiling Point: 478 °C at 760 mmHg
Vapour Pressure: 9.27E-10 mmHg at 25°C
Classification Code: Antimalarial
Structure Descriptors of Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride,hydrate (1:2:2) (CAS No. 6398-98-7):
SMILES: Cl.Cl.Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC.O.O
InChI: InChI=1/C20H22ClN3O.2ClH.2H2O/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;2*1H2
InChIKey: YVNAYSHNIILOJS-UHFFFAOYAV
Std. InChI: InChI=1S/C20H22ClN3O.2ClH.2H2O/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;2*1H2
Std. InChIKey: YVNAYSHNIILOJS-UHFFFAOYSA-N
Safety Profile
WGK Germany: 3
Specification
Phenol,4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride,hydrate (1:2:2) with cas registry number of 6398-98-7 is also called 4-((7-Chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol dihydrochloride dihydrate ; Amodiaquin dihydrochloride dihydrate ; CAM-AQ 1 ; Camoquin ; Flavoquine ; Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-, dihydrochloride, dihydrate ; o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, dihydrochloride, dihydrate ; SN 10751 ; UNII-K6PW2S574L .