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

Name
Fmoc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid
EINECS
CAS No. 270065-81-1
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₂F₃NO₄
Boiling Point 632.6 °C at 760 mmHg
Molecular Weight 469.45
Flash Point 336.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(trifluoromethyl)-,(betaS)-;(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid;
PSA 75.63000
LogP 6.02080

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

The Fmoc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid, with the CAS registry number 270065-81-1, is also known as Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(trifluoromethyl)-,(betaS)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₆H₂₂F₃NO₄ and molecular weight is 469.45. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid. It is irritant.

Physical properties of Fmoc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid are: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.88; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 1455.91; (6)ACD/BCF (pH 7.4): 24.52; (7)ACD/KOC (pH 5.5): 2704.81; (8)ACD/KOC (pH 7.4): 45.55; (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: 1.582; (14)Molar Refractivity: 118.01 cm³; (15)Molar Volume: 353.4 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.328 g/cm³; (18)Flash Point: 336.4 °C; (19)Enthalpy of Vaporization: 98.31 kJ/mol; (20)Boiling Point: 632.6 °C at 760 mmHg; (21)Vapour Pressure: 7.14E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C26H22F3NO4/c27-26(28,29)17-11-9-16(10-12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m0/s1
(3)InChIKey: LHOASNXTOYNEHC-SFHVURJKSA-N

Product Name

Fmoc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid

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

Related Products

Hot Products