Boc-3-(Trifluoromethyl)-D-phenylalanine supplier

Name
BOC-D-3-Trifluoromethylphe
EINECS
CAS No. 82317-82-6
Article Data1
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 135-138 °C
Formula C₁₅H₁₈F₃NO₄
Boiling Point 423.2 °C at 760 mmHg
Molecular Weight 333.307
Flash Point 209.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(tert-Butoxycarbonyl)-D-3-trifluoromethylphenylalanine;
PSA 75.63000
LogP 3.61670

Boc-3-(Trifluoromethyl)-D-phenylalanine Specification

The D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-(trifluoromethyl)-, with CAS registry number 82317-82-6, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of N-(tert-butoxycarbonyl)-3-(trifluoromethyl)-D-phenylalanine. This chemical should be kept cold.

Physical properties of D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-(trifluoromethyl)-: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.08; (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)Enthalpy of Vaporization: 71.42 kJ/mol; (19)Vapour Pressure: 6.44E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)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)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
(3)InChIKey: SHMWDGGGZHFFRC-LLVKDONJBJ
(4)Std. InChI: InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
(5)Std. InChIKey: SHMWDGGGZHFFRC-LLVKDONJSA-N

Product Name

BOC-D-3-Trifluoromethylphe

Boc-3-(Trifluoromethyl)-D-phenylalanine Specification

Related Products

Hot Products