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Name
7-((3-((2-CHLOROETHYL)AMINO)PROPYL)-AMINO)BENZO(b)(1,10)PHENANTHROLINE DIHYDROCHLORIDE
- EINECS
- CAS No. 38915-61-6
- Density g/cm3
- Solubility
- Melting Point
- Formula C21H21ClN4•2ClH
- Boiling Point 622.1°Cat760mmHg
- Molecular Weight 455.85
- Flash Point 330°C
- Transport Information
- Appearance
- Safety 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)amino)propyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate Chemical Properties
IUPAC Name: N-Benzo[b][1,8]phenanthrolin-7-yl-N'-(2-chloroethyl)propane-1,3-diamine dihydrochloride
Synonyms of 7-((3-((2-Chloroethyl)amino)propyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate (CAS NO. 38915-61-6): Benzo(b)(1,8)phenanthroline, 7-((3-((2-chloroethyl)amino)propyl)amino)-, 2HCl, hydrate ; 1,3-Propanediamine, N-benzo(b)(1,8)phenanthrolin-7-yl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
CAS NO: 38915-61-6
Molecular Formula: C21H23Cl3N4
Molecular Weight: 437.7931
Molecular Structure: .png)
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 32.26Å2
Flash Point: 330 °C
Enthalpy of Vaporization: 92.17 kJ/mol
Boiling Point: 622.1 °C at 760 mmHg
Vapour Pressure: 2.12E-15 mmHg at 25°C
InChI: InChI=1/C21H21ClN4.2ClH/c22-9-13-23-10-3-11-25-20-17-4-1-2-5-19(17)26-21-16-8-12-24-14-15(16)6-7-18(20)21;;/h1-2,4-8,12,14,23H,3,9-11,13H2,(H,25,26);2*1H
InChIKey: SRODYSZVUHBJHO-UHFFFAOYAN
Std. InChI: InChI=1S/C21H21ClN4.2ClH/c22-9-13-23-10-3-11-25-20-17-4-1-2-5-19(17)26-21-16-8-12-24-14-15(16)6-7-18(20)21;;/h1-2,4-8,12,14,23H,3,9-11,13H2,(H,25,26);2*1H
Std. InChIKey: SRODYSZVUHBJHO-UHFFFAOYSA-N
7-((3-((2-Chloroethyl)amino)propyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD20 | intraperitoneal | 68mg/kg (68mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972. |
7-((3-((2-Chloroethyl)amino)propyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate Safety Profile
Poison by intraperitoneal route. Mutation data reported. When 7-((3-((2-Chloroethyl)amino)propyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate (CAS NO. 38915-61-6) is heated to decomposition ,it emits very toxic fumes of Cl− and NOx.
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