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| CAS No.: | 793663-51-1 |
|---|---|
| Name: | (R)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H10F3NO2 |
| Molecular Weight: | 233.19 |
| Synonyms: | (3R)-3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;benzenepropanoic acid, beta-amino-3-(trifluoromethyl)-, (betaR)-; |
| Density: | 1.361g/cm3 |
| Boiling Point: | 295.2 °C at 760 mmHg |
| Flash Point: | 132.3 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 63.32000 |
| LogP: | 2.88020 |
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- Total:34 Page 1 of 1 1
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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