Molecular Structure of 3-Amino-3-phenylpropionic acid (CAS NO.3646-50-2):
IUPAC Name: 3-amino-3-phenylpropanoic acid
Empirical Formula: C9H11NO2
Molecular Weight: 165.1891
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 29.54Å2
Index of Refraction: 1.574
Molar Refractivity: 45.53 cm3
Molar Volume: 137.8 cm3
Surface Tension: 53.7 dyne/cm
Density: 1.198 g/cm3
Flash Point: 139.8 °C
Enthalpy of Vaporization: 57.88 kJ/mol
Boiling Point: 307.5 °C at 760 mmHg
Vapour Pressure: 0.000313 mmHg at 25°C
SMILES: O=C(O)CC(N)c1ccccc1
InChI: InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
3-Amino-3-phenylpropionic acid , with CAS number of 3646-50-2, can be called 3-phenyl-DL-beta-alanine ; benzenepropanoic acid, beta-amino- .
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