Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid supplier

Name
Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid
EINECS
CAS No. 269398-93-8
Density 1.387 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₆F₅NO₄
Boiling Point 430 °C at 760 mmHg
Molecular Weight 369.28
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3,4,5,6-pentafluoro-,(betaR)-;
PSA 75.63000
LogP 3.68350

Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid Specification

The Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid, with the CAS registry number 269398-93-8, is also known as Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3,4,5,6-pentafluoro-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₅H₁₆F₅NO₄ and molecular weight is 369.28. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-(pentafluorophenyl)butanoic acid. It is irritant.

Physical properties of Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 9.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 69.13; (8)ACD/KOC (pH 7.4): 1.19; (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: 1.475; (14)Molar Refractivity: 75.05 cm³; (15)Molar Volume: 266.1 cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.387 g/cm³; (18)Flash Point: 213.9 °C; (19)Enthalpy of Vaporization: 72.25 kJ/mol; (20)Boiling Point: 430 °C at 760 mmHg; (21)Vapour Pressure: 3.69E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1F)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1S/C15H16F5NO4/c1-15(2,3)25-14(24)21-6(5-8(22)23)4-7-9(16)11(18)13(20)12(19)10(7)17/h6H,4-5H2,1-3H3,(H,21,24)(H,22,23)/t6-/m1/s1
(3)InChIKey: BXJBNSOJUYXDRT-ZCFIWIBFSA-N

Product Name

Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid

Boc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid Specification

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