Name: (S)-3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
SKU: 151911-32-9

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Basic Information

Molecular Structure:
CAS No.:	151911-32-9
Name:	(S)-3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
Article Data:	3

Formula:	C₉H₁₀FNO₂
Molecular Weight:	183.182
Synonyms:	Benzenepropanoicacid, b-amino-2-fluoro-, (S)-;
Density:	1.289 g/cm³
Boiling Point:	302.6 °C at 760 mmHg
Flash Point:	136.8 °C
PSA:	63.32000
LogP:	2.00050

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Specification

The Benzenepropanoic acid,β -amino-2-fluoro-, (βS)-, with the CAS registry number 151911-32-9, is also known as (S)-3-Amino-3-(2-fluoro-phenyl)-propionic acid. It belongs to the product categories of 3-Amino-3-phenylpropionic Acid Analogs; B-Amino. This chemical's molecular formula is C₉H₁₀FNO₂ and molecular weight is 183.1796. Its systematic name is called (3S)-3-amino-3-(2-fluorophenyl)propanoic acid.

Physical properties of Benzenepropanoic acid,β -amino-2-fluoro-, (βS)-: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -1.53; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 45.53 cm³; (13)Molar Volume: 142 cm³; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.289 g/cm³; (16)Flash Point: 136.8 °C; (17)Enthalpy of Vaporization: 57.32 kJ/mol; (18)Boiling Point: 302.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000434 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1[C@@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: RSCLTSJQAQBNCE-QMMMGPOBBA