IUPAC Name: N'-Benzo[c]acridin-7-yl-N-(2-chloroethyl)-N-ethylpropane-1,3-diamine dihydrochloride
Synonyms of 7-(3-(Ethyl-2-(chloroethylamino)propylamino))benz(c)acridine dihydrochloride (CAS NO.4251-89-2): 1,3-Propanediamine, N'-benz(c)acridin-7-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride ; Benz(c)acridine, 7-(3-(2-chloroethylethyl)aminopropylamino)-, dihydrochloride
CAS NO: 4251-89-2
Molecular Formula: C24H28Cl3N3
Molecular Weight: 464.8582
Molecular Structure :
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 19.37 Å2
Flash Point: 297.9 °C
Enthalpy of Vaporization: 85.37 kJ/mol
Boiling Point: 568.9 °C at 760 mmHg
Vapour Pressure: 5.85E-13 mmHg at 25°C
InChI: InChI=1/C24H26ClN3.2ClH/c1-2-28(17-14-25)16-7-15-26-23-20-10-5-6-11-22(20)27-24-19-9-4-3-8-18(19)12-13-21(23)24;;/h3-6,8-13H,2,7,14-17H2,1H3,(H,26,27);2*1H
InChIKey: ZPBCSFXXKSDPII-UHFFFAOYAV
Std. InChI: InChI=1S/C24H26ClN3.2ClH/c1-2-28(17-14-25)16-7-15-26-23-20-10-5-6-11-22(20)27-24-19-9-4-3-8-18(19)12-13-21(23)24;;/h3-6,8-13H,2,7,14-17H2,1H3,(H,26,27);2*1H
Std. InChIKey: ZPBCSFXXKSDPII-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD20 | intraperitoneal | 2898ug/kg (2.898mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972. | |
mouse | LDLo | intravenous | 4650ug/kg (4.65mg/kg) | Cancer Research. Vol. 36, Pg. 2423, 1976. |
EPA Genetic Toxicology Program.
Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When 7-(3-(Ethyl-2-(chloroethylamino)propylamino))benz(c)acridine dihydrochloride (CAS NO.4251-89-2) is heated to decomposition, it emits very toxic fumes of NOx and Cl−.
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