Molecular Structure of (S)-3-Amino-3-(4-methylphenyl)propionic acid (CAS No.479065-00-4):
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157
CAS No: 479065-00-4
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 29.54Å2
Index of Refraction: 1.567
Molar Refractivity: 50.36 cm3
Molar Volume: 154 cm3
Surface Tension: 50.5 dyne/cm
Density: 1.163 g/cm3
Flash Point: 150.7 °C
Enthalpy of Vaporization: 59.93 kJ/mol
Boiling Point: 325.5 °C at 760 mmHg
Vapour Pressure: 9.32E-05 mmHg at 25°C
InChI: InChI=1/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey: XPDAKEOBPKFUAH-VIFPVBQEBY
Std. InChI: InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Std. InChIKey: XPDAKEOBPKFUAH-VIFPVBQESA-N
(S)-3-Amino-3-(4-methylphenyl)propionic acid (CAS No.479065-00-4), its synonyms are (S)-3-Amino-3-(4-tolyl)propionicacid;H-b-Phe(4-Me)-OH ; (S)-3-Amino-3-(4-methylphenyl)propionic acid
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