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| CAS No.: | 13398-26-0 |
|---|---|
| Name: | (2S)-2-AMINO-2-PHENYLPROPANOIC ACID |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | Alanine,2-phenyl-, (S)-(+)- (8CI);Benzeneacetic acid, a-amino-a-methyl-, (S)-;(S)-2-Methyl-2-phenylglycine;L-a-Phenylalanine;(S)-2-Amino-2-phenylpropionic acid; |
| Density: | 1.197 g/cm3 |
| Melting Point: | 294 °C |
| Boiling Point: | 298.5 °C at 760 mmHg |
| Flash Point: | 134.3 °C |
| PSA: | 63.32000 |
| LogP: | 1.64540 |
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- Total:22 Page 1 of 1 1
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Specification
The Benzeneacetic acid,a-amino-a-methyl-,(aS)-, with the CAS registry number 13398-26-0, has the systematic name of (2S)-2-amino-2-phenylpropanoic acid. And the molecular formula of this chemical is C9H11NO2. In addition, it is also called (S)-2-amino-2-phenylpropanoic acid.
The physical properties of Benzeneacetic acid,a-amino-a-methyl-,(aS)- are as following: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 45.1 cm3; (9)Molar Volume: 137.9 cm3; (10)Polarizability: 17.88×10-24cm3; (11)Surface Tension: 49.7 dyne/cm; (12)Density: 1.197 g/cm3; (13)Flash Point: 134.3 °C; (14)Enthalpy of Vaporization: 56.86 kJ/mol; (15)Boiling Point: 298.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000567 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@](N)(c1ccccc1)C;
(2)InChI: InChI=1/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1;
(3)InChIKey: HTCSFFGLRQDZDE-VIFPVBQEBE;