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

Name
Fmoc-(S)-3-Amino-4-(2-cyano-phenyl)-butyric acid
EINECS
CAS No. 270065-84-4
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₂N₂O₄
Boiling Point 678 °C at 760 mmHg
Molecular Weight 426.46
Flash Point 363.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Benzenebutanoic acid,2-cyano-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-;(3S)-4-(2-Cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid;
PSA 99.42000
LogP 4.87368

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

The Fmoc-(S)-3-Amino-4-(2-cyano-phenyl)-butyric acid, with the CAS registry number 270065-84-4, is also known as Benzenebutanoic acid,2-cyano-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-. 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-(2-cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.

Physical properties of Fmoc-(S)-3-Amino-4-(2-cyano-phenyl)-butyric acid are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 197.36; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 644.8; (8)ACD/KOC (pH 7.4): 10.88; (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: 363.8 °C; (19)Enthalpy of Vaporization: 104.54 kJ/mol; (20)Boiling Point: 678 °C at 760 mmHg; (21)Vapour Pressure: 2.61E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C26H22N2O4/c27-15-18-8-2-1-7-17(18)13-19(14-25(29)30)28-26(31)32-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1
(3)InChIKey: IIXHWVWQIRQSSX-IBGZPJMESA-N

Product Name

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

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

Related Products

Hot Products