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CAS No.: | 33875-38-6 |
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Name: | (2R)-2-AMINO-2-PHENYLBUTANOIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H13NO2 |
Molecular Weight: | 179.219 |
Synonyms: | Benzeneaceticacid, a-amino-a-ethyl-, (R)- (9CI);Butyricacid, 2-amino-2-phenyl-, (R)-(-)- (8CI);(2R)-2-Amino-2-phenylbutanoic acid;(-)-(R)-2-Amino-2-phenylbutyric acid; |
Density: | 1.16 g/cm3 |
Boiling Point: | 312.1 °C at 760 mmHg |
Flash Point: | 142.5 °C |
PSA: | 63.32000 |
LogP: | 2.03550 |
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The Benzeneacetic acid, a-amino-a-ethyl-, (aR)-, with the CAS registry number 33875-38-6, has the systematic name of (2R)-2-amino-2-phenylbutanoic acid. And the molecular formula of this chemical is C10H13NO2. In addition, it is also called (-)-(R)-2-Amino-2-phenylbutyric acid.
The physical properties of Benzeneacetic acid, a-amino-a-ethyl-, (aR)- are as following: (1)ACD/LogP: 1.82; (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: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 49.73 cm3; (13)Molar Volume: 154.4 cm3; (14)Polarizability: 19.71×10-24cm3; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 142.5 °C; (18)Enthalpy of Vaporization: 58.39 kJ/mol; (19)Boiling Point: 312.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@](N)(c1ccccc1)CC
(2)InChI: InChI=1/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)/t10-/m1/s1
(3)InChIKey: UBXUDSPYIGPGGP-SNVBAGLBBF