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Benzenepropanoic acid, b-amino-3-(trifluoromethyl)-, (bR)- (793663-51-1)

Identification
Name:Benzenepropanoic acid, b-amino-3-(trifluoromethyl)-, (bR)-
Synonyms:H-PHG(3-CF3)-(C*CH2)OH;H-D-BETA-PHE(3-CF3)-OH;L-BETA-HOMO(3-TRIFLUOROMETHYLPHENYL)GLYCINE;(R)-3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID;(R)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;(R)-3-Amino-3-93-trifluoromethyl-phenyl)-propanoic acid;H-D-b-Phe(3-CF3)-OH
CAS:793663-51-1
Molecular Formula: C10H10 F3 N O2
Molecular Weight: 233.19
InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Molecular Structure: (C10H10F3NO2) H-PHG(3-CF3)-(C*CH2)OH;H-D-BETA-PHE(3-CF3)-OH;L-BETA-HOMO(3-TRIFLUOROMETHYLPHENYL)GLYCINE;(R)-3-AMIN...
Properties
Flash Point: 132.3°C
Boiling Point: 295.2°C at 760 mmHg
Density:1.361g/cm3
Refractive index:1.501
Specification:

The (R)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid with cas registry number of 793663-51-1, belongs to the following product categories: (1)3-Amino-3-phenylpropanoic Acid Analogs; (2)B-Amino. It has the systematic name of (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 50.51 cm3; (15)Molar Volume: 171.3 cm3; (16)Polarizability: 20.02×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Enthalpy of Vaporization: 56.49 kJ/mol; (19)Vapour Pressure: 0.0007 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)(F)c1cccc(c1)[C@H](N)CC(=O)O;
(2)InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1;
(3)InChIKey: WZXBASRNQXYUIP-MRVPVSSYBL;
(4)Std. InChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1;
(5)Std. InChIKey: WZXBASRNQXYUIP-MRVPVSSYSA-N

Flash Point: 132.3°C
Safety Data
 

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