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

Name
Fmoc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid
EINECS
CAS No. 270065-90-2
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₂N₂O₄
Boiling Point 690.2 °C at 760 mmHg
Molecular Weight 426.46
Flash Point 371.2 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Benzenebutanoic acid,4-cyano-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-;(3S)-4-(4-Cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid;
PSA 99.42000
LogP 4.87368

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

The Fmoc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid, with the CAS registry number 270065-90-2, is also known as N-beta-(9-Fluorenylmethoxycarbonyl)-L-homo(4-cyanophenyl)alanine. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₆H₂₂N₂O₄ and molecular weight is 426.46. What's more, its systematic name is (3S)-4-(4-cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.

Physical properties of Fmoc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 203.13; (6)ACD/BCF (pH 7.4): 3.41; (7)ACD/KOC (pH 5.5): 663.65; (8)ACD/KOC (pH 7.4): 11.14; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 79.63 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 118.21 cm³; (15)Molar Volume: 319.4 cm³; (16)Surface Tension: 68.3 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 371.2 °C; (19)Enthalpy of Vaporization: 106.24 kJ/mol; (20)Boiling Point: 690.2 °C at 760 mmHg; (21)Vapour Pressure: 5.29E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C26H22N2O4/c27-15-18-11-9-17(10-12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1
(3)InChIKey: YEHSIHZGTLVMLZ-IBGZPJMESA-N

Product Name

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

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

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