Molecule structure of Ethoxyaniline (CAS NO.1321-31-9):
IUPAC Name: 2-Ethoxyaniline
Molecular Weight: 137.17904 g/mol
Molecular Formula: C8H11NO
Density: 1.037 g/cm3
Boiling Point: 231.9 °C at 760 mmHg
Flash Point: 99.2 °C
Index of Refraction: 1.544
Molar Refractivity: 41.8 cm3
Molar Volume: 132.2 cm3
Polarizability: 16.57×10-24 cm3
Surface Tension: 38.5 dyne/cm
Enthalpy of Vaporization: 46.86 kJ/mol
Vapour Pressure: 0.0608 mmHg at 25 °C
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 137.084064
MonoIsotopic Mass: 137.084064
Topological Polar Surface Area: 35.3
Heavy Atom Count: 10
Complexity: 95.3
Canonical SMILES: CCOC1=CC=CC=C1N
InChI: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChIKey of Ethoxyaniline (CAS NO.1321-31-9): ULHFFAFDSSHFDA-UHFFFAOYSA-N
1. | mmo-sat 730 nmol/plate | JJCREP Japanese Journal of Cancer Research (Gann). 78 (1987),153. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
Ethoxyaniline (CAS NO.1321-31-9) is also called Phenetidine ; Benzenamine, ar-ethoxy- .
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