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Molecule structure of Quinacrine ethyl M/2 (CAS NO.10072-24-9):
IUPAC Name: 2-Chloroethyl-[2-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]ethyl] azanium dichloride
Molecular Weight: 437.19084 g/mol
Molecular Formula: C18H21Cl4N3O
Boiling Point: 566.8 °C at 760 mmHg
Flash Point: 296.6 °C
Enthalpy of Vaporization: 85.11 kJ/mol
Vapour Pressure: 7.23E-13 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 437.040923
MonoIsotopic Mass: 435.043873
Topological Polar Surface Area: 55.3
Heavy Atom Count: 26
Complexity: 387
Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CC[NH2+]CCCl.[Cl-].[Cl-]
InChI: InChI=1S/C18H19Cl2N3O.2ClH/c1-24-13-3-5-16-15(11-13)18(22-9-8-21-7-6-19)14-4-2-12(20)10-17(14)23-16;;/h2-5,10-11,21H,6-9H2,1H3,(H,22,23);2*1H
InChIKey of Quinacrine ethyl M/2 (CAS NO.10072-24-9): NMWKGIRWQDIIKL-UHFFFAOYSA-N
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx and HCl.
Quinacrine ethyl M/2 (CAS NO.10072-24-9) is also named as 9-(2-((2-Chloroethyl)amino)ethylamino)-6-chloro-2-methoxyacridine, dihydrochloride ; ICR 171 ; ICR-125 ; Acridine, 9-(2-((2-chloroethyl)amino)ethylamino)-6-chloro-2-
methoxy-, dihydrochloride .