Boc-2-fluoro-D-phenylalanine supplier

Name
BOC-D-2-Fluorophe
EINECS
CAS No. 114873-10-8
Article Data7
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point 94-98 °C
Formula C₁₄H₁₈FNO₄
Boiling Point 427.3 °C at 760 mmHg
Molecular Weight 283.3
Flash Point 212.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (R)-2-tert-Butoxycarbonylamino-3-(2-fluorophenyl)propionicacid;N-(tert-butoxycarbonyl)-2-fluoro-D-phenylalanine;D-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-;(2R)-2-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid;2-Fluoro-D-phenylalanine, N-BOC protected;Boc-2-fluoro-D-phenylalanine;Boc-D-2-Fluorophe;BOC-D-2-Fluorophenylalanine;Boc-D-phe(2-F)-OH;
PSA 75.63000
LogP 2.73700

Boc-2-fluoro-D-phenylalanine Specification

The Boc-2-fluoro-D-phenylalanine, with the CAS registry number 114873-10-8, has the systematic name of N-(tert-butoxycarbonyl)-2-fluoro-D-phenylalanine. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Chiral; Peptide; A-amino. And the molecular formula of the chemical is C₁₄H₁₈FNO₄.

The characteristics of Boc-2-fluoro-D-phenylalanine are as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.7; (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: 1.517; (14)Molar Refractivity: 70.45 cm³; (15)Molar Volume: 232.8 cm³; (16)Polarizability: 27.92×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 212.2 °C; (20)Enthalpy of Vaporization: 71.92 kJ/mol; (21)Boiling Point: 427.3 °C at 760 mmHg; (22)Vapour Pressure: 4.61E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: you should avoid contacting with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: NTWUXBKUDXGMHV-LLVKDONJBM

Product Name

BOC-D-2-Fluorophe

Boc-2-fluoro-D-phenylalanine Specification

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