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Name |
Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-phenyl-, (βS)- |
EINECS | N/A |
CAS No. | 332062-08-5 | Density | 1.244 g/cm3 |
PSA | 75.63000 | LogP | 6.59140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C31H27NO4 | Boiling Point | 691.3 °C at 760 mmHg |
Molecular Weight | 477.55 | Flash Point | 371.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4,4-diphenylbutanoic acid;Fmoc-(S)-3-Amino-4,4-diphenyl-butyric acid;TL80073762; |
The Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-phenyl-, (βS)-, with the CAS registry number 332062-08-5, is also known as Fmoc-(S)-3-Amino-4,4-diphenyl-butyric acid. This chemical's molecular formula is C31H27NO4 and molecular weight is 477.55. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4-diphenylbutanoic acid. You should not breathe dust. When using it, you must avoid contact with skin and eyes. It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed at the temperature of 2 -8 °C. What's more, it should be protected from strong oxidants.
Physical properties of Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-γ-phenyl-, (βS)- are: (1)ACD/LogP: 7.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 12887.66; (6)ACD/BCF (pH 7.4): 220.32; (7)ACD/KOC (pH 5.5): 12588.05; (8)ACD/KOC (pH 7.4): 215.2; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Ä2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 137.43 cm3; (15)Molar Volume: 383.7 cm3; (16)Polarizability: 54.48×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 371.9 °C; (20)Enthalpy of Vaporization: 106.39 kJ/mol; (21)Boiling Point: 691.3 °C at 760 mmHg; (22)Vapour Pressure: 4.62E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C(c4ccccc4)c5ccccc5
(2)InChI: InChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/t28-/m0/s1
(3)InChIKey: GQRZIYGFRVKFSB-NDEPHWFRSA-N