-
Name
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
- EINECS
- CAS No. 52400-80-3
- Density g/cm3
- Solubility
- Melting Point
- Formula C16H24Br2N2O2•2ClH
- Boiling Point 440.6°Cat760mmHg
- Molecular Weight 509.16
- Flash Point 220.3°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, NOx, and Br−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride Chemical Properties
IUPAC Name: 2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride
Empirical Formula: C16H26Br2Cl2N2O2
Molecular Weight: 509.1038g/mol
Structure of 1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
(CAS NO.52400-80-3):
Flash Point: 220.3 °C
Enthalpy of Vaporization: 69.78 kJ/mol
Boiling Point: 440.6 °C at 760 mmHg
Vapour Pressure: 5.8E-08 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CC[NH+](CC)CC[NH2+]CCC1(OC2=CC(=C(C=C2O1)Br)Br)C.[Cl-].[Cl-]
InChI: InChI=1S/C16H24Br2N2O2.2ClH/c1-4-20(5-2)9-8-19-7-6-16(3)21-14-10-12(17)13(18)11-15(14)22-16;;/h10-11,19H,4-9H2,1-3H3;2*1H
InChIKey: DCCDACQUSKIVNL-UHFFFAOYSA-N
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride Toxicity Data With Reference
| 1. | ivn-rat LD50:40 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 12 (1977),413. | ||
| 2. | ipr-mus LD50:150 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 12 (1977),413. |
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, NOx, and Br−.
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride Specification
1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride , its cas register number is 52400-80-3. It also can be called N'-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethyl]-N,N-diethylethane-1,2-diaminium dichloride .
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