Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid supplier

Name
Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid
EINECS
CAS No. 270065-75-3
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₂F₃NO₄
Boiling Point 623.733 °C at 760 mmHg
Molecular Weight 469.45
Flash Point 331.022 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)-,(betaS)-;(S)-3-(Fmoc-amino)-4-[2-(trifluoromethyl)phenyl]butyric acid;(S)-Fmoc-2-(trifluoromethyl)-β-Homophe-OH;Fmoc-2-(trifluoromethyl)-L-β-homophenylalanine;
PSA 75.63000
LogP 6.02080

Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid Specification

The Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid, with the CAS registry number 270065-75-3, is also known as (S)-Fmoc-2-(trifluoromethyl)-β-Homophe-OH. 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-[2-(trifluoromethyl)phenyl]butanoic acid. It is irritant. Its storage temperature is 2 - 8°C. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.

Physical properties of Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid are: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 1487.18; (6)ACD/BCF (pH 7.4): 24.95; (7)ACD/KOC (pH 5.5): 2762.89; (8)ACD/KOC (pH 7.4): 46.36; (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: 331 °C; (19)Enthalpy of Vaporization: 97.11 kJ/mol; (20)Boiling Point: 623.7 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C26H22F3NO4/c27-26(28,29)23-12-6-1-7-16(23)13-17(14-24(31)32)30-25(33)34-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,30,33)(H,31,32)/t17-/m0/s1
(3)InChIKey: AMHLUOQJPWBMSQ-KRWDZBQOSA-N

Product Name

Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid

Fmoc-(S)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid Specification

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