Boc-L-4-Fluorophenylalanine supplier

Name
BOC-L-4-Fluorophe
EINECS
CAS No. 41153-30-4
Article Data6
CAS DataBase
Density 1.216 g/cm³
Solubility
Melting Point 83-86 °C
Formula C₁₄H₁₈FNO₄
Boiling Point 431.2 °C at 760 mmHg
Molecular Weight 283.3
Flash Point 214.6 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propionicacid;(S)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid;(tert-Butoxycarbonyl)-p-fluoro-L-phenylalanine;N-BOC-4-Fluoro-L-phenylalanine;Boc-Phe(4-F)-OH;N-(tert-butoxycarbonyl)-4-fluoro-L-phenylalanine;4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine;N-(tert-Butoxycarbonyl)-4-fluoro-L-phenylalanine;
PSA 75.63000
LogP 2.73700

Boc-L-4-Fluorophenylalanine Specification

The Boc-L-4-Fluorophenylalanine, with the CAS registry number 41153-30-4, has the systematic name of N-(tert-butoxycarbonyl)-4-fluoro-L-phenylalanine. And the molecular formula of this chemical is C₁₄H₁₈FNO₄. 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; Phenylalanine [Phe, F]; Unusual Amino Acids; Boc-Amino acid series; α-amino. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The physical properties of Boc-L-4-Fluorophenylalanine are as following: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (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): 8.58; (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: 214.6 °C; (20)Enthalpy of Vaporization: 72.39 kJ/mol; (21)Boiling Point: 431.2 °C at 760 mmHg; (22)Vapour Pressure: 3.36E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[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)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: RCXSXRAUMLKRRL-NSHDSACABL

Product Name

BOC-L-4-Fluorophe

Boc-L-4-Fluorophenylalanine Specification

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