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CAS No.: | 169243-86-1 |
---|---|
Name: | FMOC-L-4-Fluorophe |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H20FNO4 |
Molecular Weight: | 405.426 |
Synonyms: | Fmoc-Phe(4-F)-OH;Fmoc-4-Fluoro-Phe-OH;FMOC-L-4-Fluorophe;Fmoc-L-Phe(4-F)-OH;Fmoc-L-4-Fluoro-phe-OH;Fmoc-L-Phe(4-F);N-Fluorenemethoxycarbonyl-L-4-Fluoro Phenylalanine;Fmoc-L-4-Fluorophenylalanine; |
Density: | 1.317 g/cm3 |
Melting Point: | 185.4 °C |
Boiling Point: | 623.9 °C at 760 mmHg |
Flash Point: | 331.1 °C |
Appearance: | white fluffy powder |
Risk Codes: | 36/37/38 |
Safety: | 24/25-22 |
PSA: | 75.63000 |
LogP: | 4.75100 |
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The Fmoc-L-4-fluorophenylalanine, with the CAS registry number 169243-86-1, is also known as FMOC-L-4-fluorophe. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Fmoc-Amino Acid Series; a-Amino. This chemical's molecular formula is C24H20FNO4 and molecular weight is 405.418303. Its IUPAC name is called (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid. The product should be stored at 2-8 °C. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.
Physical properties of Fmoc-L-4-fluorophenylalanine: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 57.65; (6)ACD/BCF (pH 7.4): 2.18; (7)ACD/KOC (pH 5.5): 154.53; (8)ACD/KOC (pH 7.4): 5.85; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 108.39 cm3; (14)Molar Volume: 307.6 cm3; (15)Surface Tension: 55.9 dyne/cm; (16)Density: 1.317 g/cm3; (17)Flash Point: 331.1 °C; (18)Enthalpy of Vaporization: 97.13 kJ/mol; (19)Boiling Point: 623.9 °C at 760 mmHg; (20)Vapour Pressure: 1.99E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O
(2)Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O
(3)InChI: InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(4)InChIKey: IXUMACXMEZBPJG-QFIPXVFZSA-N