(2R)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Base Information

• Chemical Name: (2R)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
• CAS No.: 205526-37-0
• Molecular Formula: C25H20N2O4
• Molecular Weight: 412.4373
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80942737
• Wikidata: Q72478217
• Mol file: 205526-37-0.mol

Synonyms:DTXSID80942737;A814689;(2R)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2R)-3-(3-cyanophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoate;3-(3-Cyanophenyl)-2-({[(9H-fluoren-9-yl)methoxy](hydroxy)methylidene}amino)propanoatato

Chemical Property of (2R)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 6.61E-19mmHg at 25°C
• Melting Point: 99-101oC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 670.7 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 359.5 °C
• PSA: 99.42000
• Density: 1.35 g/cm³
• LogP: 4.48358
• Storage Temp.: 2-8°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 411.13448209
• Heavy Atom Count: 31
• Complexity: 673

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fmoc-3-cyano-D-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=CC=C4)C#N)C(=O)[O-]
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=CC=C4)C#N)C(=O)[O-]