Molecule structure of N-Ethyl-N-chloroethyl-3-toluidine (CAS NO.22564-43-8):
IUPAC Name: N-(2-Chloroethyl)-N-ethyl-3-methylaniline
Molecular Weight: 197.70444 [g/mol]
Molecular Formula: C11H16ClN
Index of Refraction: 1.545
Molar Refractivity: 59.5 cm3
Molar Volume: 188 cm3
Surface Tension: 37.3 dyne/cm
Density: 1.051 g/cm3
Flash Point: 127.8 °C
Enthalpy of Vaporization: 52.69 kJ/mol
Boiling Point: 287.7 °C at 760 mmHg
Vapour Pressure: 0.00245 mmHg at 25 °C
XLogP3: 3.8
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Exact Mass: 197.097127
MonoIsotopic Mass: 197.097127
Topological Polar Surface Area: 3.2
Heavy Atom Count: 13
Canonical SMILES: CCN(CCCl)C1=CC=CC(=C1)C
InChI: InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKey: DLRPOOIAFCOLII-UHFFFAOYSA-N
EINECS of N-Ethyl-N-chloroethyl-3-toluidine (CAS NO.22564-43-8): 245-082-0
N-Ethyl-N-chloroethyl-3-toluidine (CAS NO.22564-43-8) is also named as 1-(Ethyl(2'-chloroethyl)amino)-3-methylbenzene ; Benzeneamine, N-(2-chloroethyl)-N-ethyl-3-methyl- ; N-(2-Chloroethyl)-N-ethyl-m-toluidine ; N-(2-Chloroethyl)-N-ethylaniline .
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