(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-cyanophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-cyanophenyl)butanoic acid
• CAS No.: 270065-84-4
• Molecular Formula: C26H22N2O4
• Molecular Weight: 426.46
• DSSTox Substance ID: DTXSID601140796
• Mol file: 270065-84-4.mol

Synonyms:270065-84-4;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-cyanophenyl)butanoic acid;Fmoc-(S)-3-Amino-4-(2-cyano-phenyl)-butyric acid;(3S)-4-(2-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid;Fmoc-(S)-3-amino-4-(2-cyanophenyl)-butyric acid;Fmoc-(S)-3-Amino-4-(2-cyanophenyl)butyric acid;Fmoc-2-cyano-L-beta-homophenylalanine;DTXSID601140796;MFCD01861074;AKOS015948813;AC-22183;PS-12300;Fmoc-(S)-3-amino-4-(2-cyano-phenyl)-butyric acid, AldrichCPR;(3S)-4-(2-CYANOPHENYL)-3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID;(betaS)-2-Cyano-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-cyanophenyl)butanoicacid;(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2-cyanophenyl)butanoic acid

Chemical Property of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-cyanophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 2.61E-19mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 678 °C at 760 mmHg
• PKA: 4.33±0.10(Predicted)
• Flash Point: 363.8 °C
• PSA: 99.42000
• Density: 1.33 g/cm³
• LogP: 4.87368
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 426.15795719
• Heavy Atom Count: 32
• Complexity: 694

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-(S)-3-amino-4-(2-cyanophenyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C#N
• Isomeric SMILES: C1=CC=C(C(=C1)C[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C#N