Name: (R)-4-Amino-3-(4-fluorophenyl)butanoic acid
SKU: 741217-33-4

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Basic Information

Molecular Structure:
CAS No.:	741217-33-4
Name:	(R)-4-Amino-3-(4-fluorophenyl)butanoic acid

Formula:	C₁₀H₁₂FNO₂
Molecular Weight:	197.209
Synonyms:	Benzenepropanoic acid, β-(aminomethyl)-4-fluoro-, (betaR)-;(3R)-4-Amino-3-(4-fluorophenyl)butanoic acid;4-Amino-3-(4-fluoro-phenyl)-butyric acid;
Density:	1.244 g/cm³
Boiling Point:	329.1 °C at 760 mmHg
Flash Point:	152.9 °C
PSA:	63.32000
LogP:	2.04300

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Specification

The systematic name of (R)-4-Amino-3-(4-fluorophenyl)butanoic acid is (3R)-4-amino-3-(4-fluorophenyl)butanoic acid. With the CAS registry number 741217-33-4, it is also named as 4-Amino-3-(4-fluoro-phenyl)-butyric acid. In addition, its molecular formula is C₁₀H₁₂FNO₂ and its molecular weight is 197.21.

The other characteristics of (R)-4-Amino-3-(4-fluorophenyl)butanoic acid can be summarized as: (1)ACD/LogP: 1.02; (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: 1.545; (12)Molar Refractivity: 50.16 cm³; (13)Molar Volume: 158.5 cm³; (14)Polarizability: 19.88×10^-24cm³; (15)Surface Tension: 49.2 dyne/cm; (16)Density: 1.244 g/cm³; (17)Flash Point: 152.9 °C; (18)Enthalpy of Vaporization: 60.34 kJ/mol; (19)Boiling Point: 329.1 °C at 760 mmHg; (20)Vapour Pressure: 7.28E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(ccc1[C@@H](CC(=O)O)CN)F
(2)InChI:InChI=1/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
(3)InChIKey:QWHXHLDNSXLAPX-QMMMGPOBBY
(4)Std. InChI:InChI=1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey:QWHXHLDNSXLAPX-QMMMGPOBSA-N