Fmoc-D-3-cyanophenylalanine supplier

Name
FMOC-D-3-CYANOPHENYLALANINE
EINECS
CAS No. 205526-37-0
Density 1.35 g/cm³
Solubility
Melting Point 99-101oC
Formula C₂₅H₂₀N₂O₄
Boiling Point 670.7 °C at 760 mmHg
Molecular Weight 412.4373
Flash Point 359.5 °C
Transport Information
Appearance White powder
Safety 37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Fmoc-D-3-Cyano-phe-OH;FMOC-D-PHE(M-CN)-OH;Fmoc-D-3-CN-Phe-OH;FMOC-D-3-CYANOPHENYLALANINE;FMOC-3-CYAN-D-PHENYLALANIN;FMOC-M-CYANO-D-PHE-OH;RARECHEM BK PT 0156;FMOC-D-3-CYANOPHE;FMOC-D-PHE(3-CN)-OH;
PSA 99.42000
LogP 4.48358

Fmoc-D-3-cyanophenylalanine Specification

The D-Phenylalanine,3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with CAS registry number 205526-37-0, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine. This chemical should be stored at the temperature of 2-8°C.

Physical properties of D-Phenylalanine,3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 15.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 56.74; (8)ACD/KOC (pH 7.4): 2.52; (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)Enthalpy of Vaporization: 103.53 kJ/mol; (19)Vapour Pressure: 6.61E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1
(3)InChIKey: CVLOUTPKZUJTGV-HSZRJFAPBW
(4)Std. InChI: InChI=1S/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1
(5)Std. InChIKey: CVLOUTPKZUJTGV-HSZRJFAPSA-N

Product Name

FMOC-D-3-CYANOPHENYLALANINE

Fmoc-D-3-cyanophenylalanine Specification

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