-
Name
2-{4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl}ethanol dihydrochloride
- EINECS
- CAS No. 52400-66-5
- Density g/cm3
- Solubility
- Melting Point
- Formula C16H24N2O3•2ClH
- Boiling Point 424.3°Cat760mmHg
- Molecular Weight 365.34
- Flash Point 210.4°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride Chemical Properties
Product Name: 4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride (CAS NO.52400-66-5)
Molecular Formula: C16H24N2O3•2ClH
Molecular Weight: 365.34g/mol
Mol File: 52400-66-5.mol
Boiling point: 424.3 °C at 760 mmHg
Flash Point: 210.4 °C
Enthalpy of Vaporization: 71.56 kJ/mol
Vapour Pressure: 5.88E-08 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of 4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride (CAS NO.52400-66-5):
IUPAC Name: 2-[4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl]ethanoldihydrochloride
Canonical SMILES: CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)CCO.Cl.Cl
InChI: InChI=1S/C16H24N2O3.2ClH/c1-16(20-14-4-2-3-5-15(14)21-16)6-7-17-8-10-18(11-9-17)12-13-19;;/h2-5,19H,6-13H2,1H3;2*1H
InChIKey: BCOBDRNLUOQFFZ-UHFFFAOYSA-N
4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 90mg/kg (90mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977. | |
| rat | LD50 | intravenous | 18500ug/kg (18.5mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977. |
4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride Specification
4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride , its CAS NO. is 52400-66-5, the synonym is 1-Piperazineethanol, 4-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-, dihydrochloride .
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