| Identification | |
| Name: | (S)-4-Amino-3-phenylbutanoic acid |
| Synonyms: | benzenepropanoic acid, beta-(aminomethyl)-, (betaS)-; |
| CAS: | 62596-63-8 |
| Molecular Formula: | C10H13NO2 |
| Molecular Weight: | 179.22 |
| InChI: | InChI=1/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.161 g/cm3 |
| Refractive index: | 1.563 |
| Specification: |
The (S)-4-Amino-3-phenylbutanoic acid, with the cas registry number 62596-63-8, has the systematic name of benzenepropanoic acid, beta-(aminomethyl)-, (betaS)-. And the molecular formula of the chemical is C10H13NO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 50.17 cm3; (13)Molar Volume: 154.3 cm3; (14)Polarizability: 19.88×10-24cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.161 g/cm3; (17)Flash Point: 152.1 °C; (18)Enthalpy of Vaporization: 60.18 kJ/mol; (19)Boiling Point: 327.8 °C at 760 mmHg; (20)Vapour Pressure: 7.98E-05 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
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