CAS No.177966-58-4,FMOC-D-3,4-Dichlorophe Suppliers

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Basic Information

Molecular Structure:
CAS No.:	177966-58-4
Name:	FMOC-D-3,4-Dichlorophe

Formula:	C₂₄H₁₉Cl₂NO₄
Molecular Weight:	456.32
Synonyms:	295: PN:US20070042401 PAGE: 38 claimed sequence;986: PN: WO2006135786 PAGE: 70 claimedsequence;fmoc-3,4-dichloro-d-phenylalanine;
Density:	1.394g/cm³
Melting Point:	122°C
Boiling Point:	661.7 °C at 760 mmHg
Flash Point:	354 °C
Hazard Symbols:	Xi
Safety:	22-24/25
PSA:	75.63000
LogP:	5.91870

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Specification

The D-Phenylalanine,3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with CAS registry number 177966-58-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide; (4)A-amino. It has the systematic name of 3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine. This chemical should be stored at the temperature of 2-8°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties of D-Phenylalanine,3,4-dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-: (1)ACD/LogP: 6.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 267.02; (6)ACD/BCF (pH 7.4): 11.93; (7)ACD/KOC (pH 5.5): 432.39; (8)ACD/KOC (pH 7.4): 19.32; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 118.19 cm³; (15)Molar Volume: 327.3 cm³; (16)Polarizability: 46.85×10^-24cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Enthalpy of Vaporization: 102.29 kJ/mol; (19)Vapour Pressure: 2.07E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H19Cl2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
(3)InChIKey: QNVHCYWPXIGFGN-QFIPXVFZBH
(4)Std. InChI: InChI=1S/C24H19Cl2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
(5)Std. InChIKey: QNVHCYWPXIGFGN-QFIPXVFZSA-N