Product Name: N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine (CAS NO.56538-02-4)
Molecular Formula: C11H15ClN2O3
Molecular Weight: 258.73g/mol
Mol File: 56538-02-4.mol
Boiling point: 396.8 °C at 760 mmHg
Flash Point: 193.8 °C
Density: 1.224 g/cm3
Surface Tension: 43.2 dyne/cm
Enthalpy of Vaporization: 64.72 kJ/mol
Vapour Pressure: 1.66E-06 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine (CAS NO.56538-02-4):
IUPAC Name: 2-chloro-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine
Canonical SMILES: CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNCCCl
InChI: InChI=1S/C11H15ClN2O3/c1-2-17-11-4-3-10(14(15)16)7-9(11)8-13-6-5-12/h3-4,7,13H,2,5-6,8H2,1H3
InChIKey: VMCCMKJABCHXOV-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 25mg/kg (25mg/kg) | Indian Journal of Medical Research. Vol. 66, Pg. 987, 1977. |
Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and NOx.
N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine ,its CAS NO. is 56538-02-4,the synonyms is BRN 3085070 ; Benzenemethanamine, N-(2-chloroethyl)-2-ethoxy-5-nitro- ; N-(2-Chloroethyl)-3-aminomethyl-4-ethoxynitrobenzene ; N-(2-Chloroethyl)aminomethyl-4-ethoxynitrobenzene ; Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro- .
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