Boc-4-(Trifluoromethyl)-L-phenylalanine supplier

Name
BOC-L-4-Trifluoromethylphe
EINECS
CAS No. 114873-07-3
Article Data3
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 118-137°C
Formula C₁₅H₁₈F₃NO₄
Boiling Point 431.4 °C at 760 mmHg
Molecular Weight 333.307
Flash Point 214.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-trifluoromethylphenyl)propionicacid;N-(tert-butoxycarbonyl)-4-(trifluoromethyl)-L-phenylalanine;(2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-[4-(trifluoromethyl)phenyl]propanoic acid;L-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-;N-(tert-Butoxycarbonyl)-4-(trifluormethyl)-L-phenylalanin;N-(tert-Butoxycarbonyl)-4-(trifluoromethyl)-L-phenylalanine;N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(trifluoromethyl)-L-phenylalanine;(2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid;
PSA 75.63000
LogP 3.61670

Boc-4-(Trifluoromethyl)-L-phenylalanine Specification

The Boc-4-(Trifluoromethyl)-L-phenylalanine, with the CAS registry number 114873-07-3, has the systematic name of N-(tert-butoxycarbonyl)-4-(trifluoromethyl)-L-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C₁₅H₁₈F₃NO₄.

The characteristics of Boc-4-(Trifluoromethyl)-L-phenylalanine are as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.38; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 75.43 cm³; (15)Molar Volume: 262.1 cm³; (16)Polarizability: 29.9×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 214.7 °C; (20)Enthalpy of Vaporization: 72.42 kJ/mol; (21)Boiling Point: 431.4 °C at 760 mmHg; (22)Vapour Pressure: 3.29E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
(3)InChIKey: SMVCCWNHCHCWAZ-NSHDSACABY

Product Name

BOC-L-4-Trifluoromethylphe

Boc-4-(Trifluoromethyl)-L-phenylalanine Specification

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