Molecular Structure of (R*,R*)-3-Amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol (CAS No.98769-74-5):
Molecular Formula: C17H21NO3
Molecular Weight: 287.3535
CAS No: 98769-74-5
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 64.71 Å2
Index of Refraction: 1.578
Molar Refractivity: 83.02 cm3
Molar Volume: 249.9 cm3
Surface Tension: 46.8 dyne/cm
Density: 1.149 g/cm3
Flash Point: 237.4 °C
Enthalpy of Vaporization: 77.03 kJ/mol
Boiling Point: 468.9 °C at 760 mmHg
Vapour Pressure: 1.35E-09 mmHg at 25°C
InChI: InChI=1/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3
InChIKey: NSRLBJFRMMPGOK-UHFFFAOYAT
Std. InChI: InChI=1S/C17H21NO3/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17,19H,2,12,18H2,1H3
Std. InChIKey: NSRLBJFRMMPGOK-UHFFFAOYSA-N
(R*,R*)-3-Amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol (CAS No.98769-74-5), its synonyms are 3-Amino-1-(2-ethoxyphenoxy)-1-phenylpropan-2-ol ; Benzeneethanol, alpha-(aminomethyl)-beta-(2-ethoxyphenoxy)-
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