Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid supplier

Name
Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid
EINECS
CAS No. 270063-52-0
Density 1.367 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₁Cl₂NO₄
Boiling Point 674.1 °C at 760 mmHg
Molecular Weight 470.34
Flash Point 361.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid,3,4-dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-;(3S)-4-(3,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid;
PSA 75.63000
LogP 6.30880

Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid Specification

The Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid, with the CAS registry number 270063-52-0, is also known as Benzenebutanoic acid,3,4-dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₅H₂₁Cl₂NO₄ and molecular weight is 470.34. What's more, its systematic name is (3S)-4-(3,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.

Physical properties of Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid are: (1)ACD/LogP: 6.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 3292.42; (6)ACD/BCF (pH 7.4): 55.92; (7)ACD/KOC (pH 5.5): 4785.99; (8)ACD/KOC (pH 7.4): 81.29; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 122.82 cm³; (15)Molar Volume: 343.8 cm³; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.367 g/cm³; (18)Flash Point: 361.5 °C; (19)Enthalpy of Vaporization: 103.99 kJ/mol; (20)Boiling Point: 674.1 °C at 760 mmHg; (21)Vapour Pressure: 4.33E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C25H21Cl2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/t16-/m0/s1
(3)InChIKey: NVROSHMPZXMHHP-INIZCTEOSA-N

Product Name

Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid

Fmoc-(S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid Specification

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