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Name |
Boc-2-fluoro-L-phenylalanine |
EINECS | 220-105-7 |
CAS No. | 114873-00-6 | Density | 1.216 g/cm3 |
PSA | 75.63000 | LogP | 2.73700 |
Solubility | N/A | Melting Point |
92-96 °C |
Formula | C14H18FNO4 | Boiling Point | 427.3 °C at 760 mmHg |
Molecular Weight | 283.3 | Flash Point | 212.2 °C |
Transport Information | N/A | Appearance | white to light yellow crystal powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(2-fluorophenyl)propionicacid;N-BOC-2-Fluoro-L-phenylalanine;N-tert-Butoxycarbonyl-L-2-fluorophenylalanine;tert-Butoxycarbonyl-2-fluoro-L-phenylalanine;N-(tert-butoxycarbonyl)-2-fluoro-L-phenylalanine;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-;N-(tert-Butoxycarbonyl)-2-fluoro-L-phenylalanine;(2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid;Boc-L-2-Fluorophe;Boc-l-2-Fluorophenylalanine; |
Article Data | 3 |
The Boc-2-fluoro-L-phenylalanine, with the CAS registry number 114873-00-6, has the systematic name of N-(tert-butoxycarbonyl)-2-fluoro-L-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. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Boc-2-fluoro-L-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.
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-/m0/s1
(3)InChIKey: NTWUXBKUDXGMHV-NSHDSACABD