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Boc-L-3-Fluorophenylalanine

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Name

Boc-L-3-Fluorophenylalanine

EINECS
CAS No. 114873-01-7 Density 1.216 g/cm3
Solubility Melting Point 75-80 °C
Formula C14H18FNO4 Boiling Point 425 °C at 760 mmHg
Molecular Weight 283.3 Flash Point 210.8 °C
Transport Information Appearance off-white crystalline powder
Safety 24/25 Risk Codes  Xi:Irritant/Keep Cold;
Molecular Structure Molecular Structure of 114873-01-7 (L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-) Hazard Symbols IrritantXi
Synonyms

(S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propionic acid;tert-Butoxycarbonyl-L-3-fluorophenylalanine;Boc-Phe(3-F)-OH;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propionicacid;

 

Boc-L-3-Fluorophenylalanine Specification

The Boc-L-3-Fluorophenylalanine, with the CAS registry number 114873-01-7, is also known as Boc-3-fluoro-L-phenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Peptide; a-Amino. This chemical's molecular formula is C14H18FNO4 and molecular weight is 283.295423. Its IUPAC name is called (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino] propanoic acid. When you are using this chemical, please be cautious about it. It is irritant. You must avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place at 0-6°C.

Physical properties of Boc-L-3-Fluorophenylalanine: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): -0.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 70.45 cm3; (13)Molar Volume: 232.8 cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.216 g/cm3; (16)Flash Point: 210.8 °C; (17)Enthalpy of Vaporization: 71.64 kJ/mol; (18)Boiling Point: 425 °C at 760 mmHg; (19)Vapour Pressure: 5.57E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)O
(3)InChI: InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(4)InChIKey: FPCCREICRYPTTL-NSHDSACASA-N

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