Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Boc-2-(3-trifluoromethylphenyl)glycine |
EINECS | N/A |
CAS No. | 146621-92-3 | Density | 1.297 g/cm3 |
PSA | 75.63000 | LogP | 3.74670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H16F3NO4 | Boiling Point | 398.5 °C at 760 mmHg |
Molecular Weight | 319.281 | Flash Point | 194.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-Boc-2-(3-trifluoromethylphenyl)glycine;N-Boc-2-(3-trifluoromethyl-phenyl)-DL-glycine;[(tert-Butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid; |
Article Data | 2 |
The Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-, with the CAS registry number 146621-92-3, is also known as N-Boc-2-(3-trifluoromethyl-phenyl)-DL-glycine. This chemical's molecular formula is C14H16F3NO4 and molecular weight is 319.28. What's more, its systematic name is [(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid.
Physical properties of Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 75.63 Å2; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 70.84 cm3; (14)Molar Volume: 246 cm3; (15)Polarizability: 28.08×10-24cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.297 g/cm3; (18)Flash Point: 194.8 °C; (19)Enthalpy of Vaporization: 68.45 kJ/mol; (20)Boiling Point: 398.5 °C at 760 mmHg; (21)Vapour Pressure: 4.59E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C(NC(=O)OC(C)(C)C)C(O)=O
(2)Std. InChI: InChI=1S/C14H16F3NO4/c1-13(2,3)22-12(21)18-10(11(19)20)8-5-4-6-9(7-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,21)(H,19,20)
(3)Std. InChIKey: NVMKZXKHKQKKFE-UHFFFAOYSA-N