-
Name
7-({3-[(2-chloroethyl)(propyl)ammonio]propyl}amino)benzo[b][1,10]phenanthrolinediium trichloride
- EINECS
- CAS No. 38915-59-2
- Density g/cm3
- Solubility
- Melting Point
- Formula C24H27ClN4•3ClH
- Boiling Point 585.5°Cat760mmHg
- Molecular Weight 516.38
- Flash Point 307.9°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. 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-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride Chemical Properties
IUPAC Name: 3-(Benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride
Synonyms of 7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride (CAS NO. 38915-59-2): Benzo(b)(1,10)phenanthroline, 7-(3-(N-(2-chloroethyl)-N-propylamino)propylamino)-, trihydrochloride
CAS NO: 38915-59-2
Molecular Formula: C24H30Cl4N4
Molecular Weight: 516.3338
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 11 Å2
Flash Point: 307.9 °C
Enthalpy of Vaporization: 87.47 kJ/mol
Boiling Point: 585.5 °C at 760 mmHg
Vapour Pressure: 1.08E-13 mmHg at 25°C
InChI: InChI=1/C24H27ClN4.3ClH/c1-2-15-29(17-12-25)16-6-14-27-23-19-8-3-4-9-21(19)28-24-20(23)11-10-18-7-5-13-26-22(18)24;;;/h3-5,7-11,13H,2,6,12,14-17H2,1H3,(H,27,28);3*1H
InChIKey: PGSWPAFPWLYZJI-UHFFFAOYAQ
Std. InChI: InChI=1S/C24H27ClN4.3ClH/c1-2-15-29(17-12-25)16-6-14-27-23-19-8-3-4-9-21(19)28-24-20(23)11-10-18-7-5-13-26-22(18)24;;;/h3-5,7-11,13H,2,6,12,14-17H2,1H3,(H,27,28);3*1H
Std. InChIKey: PGSWPAFPWLYZJI-UHFFFAOYSA-N
7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD20 | intraperitoneal | 1136ug/kg (1.136mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972. |
7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride Safety Profile
Poison by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When 7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride (CAS NO. 38915-59-2) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.
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