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Name
7-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)BENZO(b) (1,10)PHEN-ANTHROLINE DIHYDROCHLORIDE
- EINECS
- CAS No. 39013-93-9
- Density
- Solubility
- Melting Point
- Formula C23H25ClN4•2ClH
- Boiling Point
- Molecular Weight 465.89
- Flash Point
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride Chemical Properties
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: .png)
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
7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride 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. |
7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride 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.
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