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

Name
Fmoc-(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid
EINECS
CAS No. 270063-43-9
Density 1.441 g/cm³
Solubility
Melting Point
Formula C₂₅H₁₈F₅NO₄
Boiling Point 616.7 °C at 760 mmHg
Molecular Weight 491.41
Flash Point 326.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3,4,5,6-pentafluoro-,(betaS)-;N-(9-Fluorenylmethoxycarbonyl)-(S)-3-amino-4-(pentafluorophenyl)butanoic acid;
PSA 75.63000
LogP 5.69750

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

The Fmoc-(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid, with the CAS registry number 270063-43-9, is also known as N-(9-Fluorenylmethoxycarbonyl)-(S)-3-amino-4-(pentafluorophenyl)butanoic acid. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₅H₁₈F₅NO₄ and molecular weight is 491.41. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(pentafluorophenyl)butanoic acid. It is irritant.

Physical properties of Fmoc-(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid are: (1)ACD/LogP: 5.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 612.49; (6)ACD/BCF (pH 7.4): 10.7; (7)ACD/KOC (pH 5.5): 1379.77; (8)ACD/KOC (pH 7.4): 24.11; (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: 1.577; (14)Molar Refractivity: 113 cm³; (15)Molar Volume: 340.9 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.441 g/cm³; (18)Flash Point: 326.8 °C; (19)Enthalpy of Vaporization: 96.16 kJ/mol; (20)Boiling Point: 616.7 °C at 760 mmHg; (21)Vapour Pressure: 4.56E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c(F)c1C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C25H18F5NO4/c26-20-17(21(27)23(29)24(30)22(20)28)9-12(10-19(32)33)31-25(34)35-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,18H,9-11H2,(H,31,34)(H,32,33)/t12-/m0/s1
(3)InChIKey: HCBMYXPXBOUBBR-LBPRGKRZSA-N

Product Name

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

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

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