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Fmoc-N-methyl-L-phenylalanine

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Name

Fmoc-N-methyl-L-phenylalanine

EINECS N/A
CAS No. 77128-73-5 Density 1.26 g/cm3
PSA 66.84000 LogP 4.56320
Solubility N/A Melting Point 132.0 to 136.0 °C
Formula C25H23NO4 Boiling Point 595.4 °C at 760 mmHg
Molecular Weight 401.462 Flash Point 313.9 °C
Transport Information N/A Appearance white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 77128-73-5 (Fmoc-N-methyl-L-phenylalanine) Hazard Symbols N/A
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;

Article Data 14

Fmoc-N-methyl-L-phenylalanine Specification

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

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