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39013-93-9

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Basic Information
CAS No.: 39013-93-9
Name: 7-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)BENZO(b) (1,10)PHEN-ANTHROLINE DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 39013-93-9 (7-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)BENZO(b) (1,10)PHEN-ANTHROLINE DIHYDROCHLORIDE )
Formula: C23H25ClN4•2ClH
Molecular Weight: 465.89
Safety: A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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  • 7-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)BENZO(b) (1,10)PHEN-ANTHROLINE DIHYDROCHLORIDE

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    39013-93-9

    7-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)BENZO(b) (1,10)PHEN-ANTHROLINE DIHYDROCHLORIDE

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Chemistry

IUPAC Name: N'-Benzo[b][1,10]phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethylpropane-1,3-diamine dihydrochloride
Synonyms of 7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride (CAS NO.39013-93-9): Benzo(b)(1,10)phenanthroline, 7-((3-((2-chloroethyl)ethylamino)propyl)amino)-, 2HCl  ; 1,3-Propanediamine, N'-benzo(b)(1,10)phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride ; 1,3-Propanediamine, N'-benzo(b)(1,10)phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethyl-,dihydrochloride (9CI)
CAS NO: 39013-93-9
Molecular Formula: C23H27Cl3N4
Molecular Weight: 465.8463
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 32.26 Å2
Flash Point: 302.5 °C
Enthalpy of Vaporization: 86.34 kJ/mol
Boiling Point: 576.6 °C at 760 mmHg
Vapour Pressure: 2.7E-13 mmHg at 25°C
InChI: InChI=1/C23H25ClN4.2ClH/c1-2-28(16-12-24)15-6-14-26-22-18-8-3-4-9-20(18)27-23-19(22)11-10-17-7-5-13-25-21(17)23;;/h3-5,7-11,13H,2,6,12,14-16H2,1H3,(H,26,27);2*1H
InChIKey: DGDNEYPPEKPESK-UHFFFAOYAL
Std. InChI: InChI=1S/C23H25ClN4.2ClH/c1-2-28(16-12-24)15-6-14-26-22-18-8-3-4-9-20(18)27-23-19(22)11-10-17-7-5-13-25-21(17)23;;/h3-5,7-11,13H,2,6,12,14-16H2,1H3,(H,26,27);2*1H
Std. InChIKey: DGDNEYPPEKPESK-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 932ug/kg (0.932mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.

Safety Profile

A poison by intraperitoneal route. Mutation data reported. When 7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride (CAS NO.39013-93-9) is heated to decomposition ,it emits very toxic fumes of Cl− and NOx.