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CAS No.: | 77128-73-5 |
---|---|
Name: | Fmoc-N-methyl-L-phenylalanine |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C25H23NO4 |
Molecular Weight: | 401.462 |
Synonyms: | (S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino]-3-phenylpropanoicacid;Fmoc-N-methyl-L-phenylalanine;Fmoc-N-Me-Phe-OH;N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-L-phenylalanine; |
Density: | 1.26 g/cm3 |
Melting Point: | 132.0 to 136.0 °C |
Boiling Point: | 595.4 °C at 760 mmHg |
Flash Point: | 313.9 °C |
Appearance: | white powder |
Safety: | 22-24/25 |
PSA: | 66.84000 |
LogP: | 4.56320 |
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The IUPAC name of Fmoc-N-methyl-L-phenylalanine is (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoic acid. With the CAS registry number 77128-73-5, it is also named as N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-L-phenylalanine. The product's categories are Amino Acids; N-Methyl Amino Acids. In addition, its molecular formula is C25H23NO4 and its molecular weight is 401.45. This chemical is white powder which should be stored in sealed container in cool and dry place at 2-8 °C. Moreover, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.
The other characteristics of Fmoc-N-methyl-L-phenylalanine can be summarized as: (1)ACD/LogP: 5.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 135.65; (6)ACD/BCF (pH 7.4): 4.84; (7)ACD/KOC (pH 5.5): 292.51; (8)ACD/KOC (pH 7.4): 10.44; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 113.16 cm3; (15)Molar Volume: 318.3 cm3; (16)Polarizability: 44.86×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 313.9 °C; (20)Enthalpy of Vaporization: 93.31 kJ/mol; (21)Boiling Point: 595.4 °C at 760 mmHg; (22)Vapour Pressure: 5.02E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](N(C(=O)OCC3c1ccccc1c2c3cccc2)C)Cc4ccccc4
(2)InChI: InChI=1/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m0/s1
(3)InChIKey: GBROUWPNYVBLFO-QHCPKHFHBP
(4)Std. InChI: InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m0/s1
(5)Std. InChIKey: GBROUWPNYVBLFO-QHCPKHFHSA-N