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Empirical Formula of 9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate (CAS NO.38914-96-4): C18H24Cl3N3O
Molecular Weight: 404.7617
Flash Point: 270.2 °C
Enthalpy of Vaporization: 79.68 kJ/mol
Boiling Point: 523.2 °C at 760 mmHg
Vapour Pressure: 4.82E-11 mmHg at 25 °C
Structure of 9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate (CAS NO.38914-96-4):
IUPAC Name: N-Acridin-9-yl-N'-(2-chloroethyl)propane-1,3-diamine hydrate dihydrochloride
Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNCCCl.O.Cl.Cl
InChI: InChI=1S/C18H20ClN3.2ClH.H2O/c19-10-13-20-11-5-12-21-18-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)18;;;/h1-4,6-9,20H,5,10-13H2,(H,21,22);2*1H;1H2
InChIKey: SZYRIFPVSIVBGN-UHFFFAOYSA-N
1. | mmo-sat 5 µg/plate | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. | ||
2. | ipr-mus LD20:243 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. |
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition 9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate (CAS NO.38914-96-4) emits very toxic fumes of Cl− and NOx.
9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate , its cas register number is 38914-96-4. It also can be called Acridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-, dihydrochloride, hydrate ; ICR 449 ; CCRIS 7014 ; and 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate .