-
Name
2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]-N,N-diethylethanamine
- EINECS
- CAS No. 56287-41-3
- Density 1.115g/cm3
- Solubility
- Melting Point
- Formula C16H24ClNO3
- Boiling Point 381°Cat760mmHg
- Molecular Weight 313.86
- Flash Point 184.2°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole Chemical Properties
Molecule structure of 5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole (CAS NO.56287-41-3):
IUPAC Name: 2-[2-(5-Chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]-N,N-diethylethanamine
Molecular Weight: 313.81966 g/mol
Molecular Formula: C16H24ClNO3
Density: 1.115 g/cm3
Boiling Point: 381 °C at 760 mmHg
Flash Point: 184.2 °C
Index of Refraction: 1.512
Molar Refractivity: 84.51 cm3
Molar Volume: 281.2 cm3
Polarizability: 33.5×10-24 cm3
Surface Tension: 40.7 dyne/cm
Enthalpy of Vaporization: 62.92 kJ/mol
Vapour Pressure: 5.25E-06 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 313.144471
MonoIsotopic Mass: 313.144471
Topological Polar Surface Area: 30.9
Heavy Atom Count: 21
Complexity: 314
Canonical SMILES: CCN(CC)CCOCCC1(OC2=C(O1)C=C(C=C2)Cl)C
InChI: InChI=1S/C16H24ClNO3/c1-4-18(5-2)9-11-19-10-8-16(3)20-14-7-6-13(17)12-15(14)21-16/h6-7,12H,4-5,8-11H2,1-3H3
InChIKey: ZMBBYYGTHPAZOF-UHFFFAOYSA-N
Classification Code of 5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole (CAS NO.56287-41-3): Drug / Therapeutic Agent
5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole Toxicity Data With Reference
| 1. | ivn-rat LD50:18 mg/kg | DRFUD4 Drugs of the Future. 3 (1978),379. | ||
| 2. | ipr-mus LD50:111 mg/kg | DRFUD4 Drugs of the Future. 3 (1978),379. |
5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole Specification
5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole (CAS NO.56287-41-3) is also named as 2-(2-(5-Chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy)-N,N-diethylethanamine ; 2-Methyl-5-chloro-2-(N,N-diethylaminoethoxyethyl)-1,3-benzodioxole ; LR-529 ; 1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2 -methyl- .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View