CAS No.774178-39-1,(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	774178-39-1
Name:	(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
Article Data:	3

Formula:	C₁₀H₁₀F₃NO₂
Molecular Weight:	233.19
Synonyms:	(R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;
Density:	1.361 g/cm³
Boiling Point:	317 °C at 760 mmHg
Flash Point:	145.5 °C
PSA:	63.32000
LogP:	2.88020

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Specification

The CAS register number of (R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid is 774178-39-1. It also can be called as Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bR)- and the systematic name about this chemical is (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid. The molecular formula about this chemical is C₁₀H₁₀F₃NO₂and molecular weight is 233.19. It belongs to the 3-Amino-3-phenylpropanoic Acid Analogs; B-Amino and so on.

Physical properties about (R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): -1.03; (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)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 50.51 cm³; (14)Molar Volume: 171.3 cm³; (15)Polarizability: 20.02x10^-24cm³; (16)Surface Tension: 39.8 dyne/cm; (17)Enthalpy of Vaporization: 58.95 kJ/mol; (18)Boiling Point: 317 °C at 760 mmHg; (19)Vapour Pressure: 0.000166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)[C@H](N)CC(=O)O
(2)InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
(3)InChIKey: ABDRZHVLIRZFQO-MRVPVSSYBG
(4)Std. InChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
(5)Std. InChIKey: ABDRZHVLIRZFQO-MRVPVSSYSA-N