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142925-36-8

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Basic Information
CAS No.: 142925-36-8
Name: (S)-3-(Phenylamino)butanoic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 142925-36-8 ((S)-3-(Phenylamino)butanoic acid)
Formula: C10H13NO2
Molecular Weight: 179.219
Synonyms: (3S)-3-Anilinobutanoato;(S)-3-Anilinobutyric acid;(S)-3-Phenylaminobutanoic acid;
Density: 1.168 g/cm3
Boiling Point: 363.9 °C at 760 mmHg
Flash Point: 173.9 °C
Appearance: Colorless and transparent liquid
PSA: 49.33000
LogP: 2.03470
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Specification

The (S)-3-(Phenylamino)butanoic acid with CAS registry number of 142925-36-8 is also known as (3S)-3-Anilinobutanoato. The systematic name is Butanoic acid, 3-(phenylamino)-, (3S)-. It belongs to product categories of API Intermediates. In addition, the formula is C10H13NO2 and the molecular weight is 179.22.

Physical properties about (S)-3-(Phenylamino)butanoic acid are: (1)ACD/LogP: 1.44; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.51; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 51.28 cm3; (11)Molar Volume: 153.4 cm3; (12)Surface Tension: 48.4 dyne/cm; (13)Density: 1.168 g/cm3; (14)Flash Point: 173.9 °C; (15)Enthalpy of Vaporization: 64.37 kJ/mol; (16)Boiling Point: 363.9 °C at 760 mmHg; (17)Vapour Pressure: 6.18E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: C[C@@H](CC(=O)O)Nc1ccccc1
2. InChI: InChI=1/C10H13NO2/c1-8(7-10(12)13)11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m0/s1
3. InChIKey: FXGNIWAMJJDYMZ-QMMMGPOBBP
4. Std. InChI: InChI=1S/C10H13NO2/c1-8(7-10(12)13)11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m0/s1
5. Std. InChIKey: FXGNIWAMJJDYMZ-QMMMGPOBSA-N