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Fmoc-D-4-Cyanophenylalanine

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Name

Fmoc-D-4-Cyanophenylalanine

EINECS N/A
CAS No. 205526-34-7 Density 1.35 g/cm3
PSA 99.42000 LogP 4.48358
Solubility N/A Melting Point 188.1 °C
Formula C25H20N2O4 Boiling Point 678.7 °C at 760 mmHg
Molecular Weight 412.445 Flash Point 364.3 °C
Transport Information N/A Appearance off-white to slightly yellow powder
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 205526-34-7 (Fmoc-D-4-Cyanophenylalanine) Hazard Symbols HarmfulXn
Synonyms

Fmoc-4-Cyano-D-phenylalanine;

 

Fmoc-D-4-Cyanophenylalanine Specification

The IUPAC name of Fmoc-D-4-Cyanophenylalanine is (2R)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 205526-34-7, it is also named as Fmoc-4-Cyano-D-phenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; A-amino. Besides, it is off-white to slightly yellow powder, which should be stored in closed, cool and dry place at 2-8 °C. In addition, its molecular formula is C25H20N2O4 and molecular weight is 412.44.

The other characteristics of Fmoc-D-4-Cyanophenylalanine can be summarized as: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 14.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.32; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 79.63 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 113.58 cm3; (15)Molar Volume: 303.2 cm3; (16)Polarizability: 45.02×10-24cm3; (17)Surface Tension: 70.2 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 364.3 °C; (20)Melting Point: 188.1 °C; (21)Enthalpy of Vaporization: 104.64 kJ/mol; (22)Boiling Point: 678.7 °C at 760 mmHg; (23)Vapour Pressure: 2.38E-19 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing and gloves when use it.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
(3)InChIKey: JOPKKUTWCGYCDA-QHCPKHFHBL
(4)Std. InChI: InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
(5)Std. InChIKey: JOPKKUTWCGYCDA-QHCPKHFHSA-N

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