3-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(3-nitrophenyl)propanoate

Base Information

• Chemical Name: 3-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(3-nitrophenyl)propanoate
• CAS No.: 374791-01-2
• Molecular Formula: C24H20N2O6
• Molecular Weight: 432.43
• DSSTox Substance ID: DTXSID30958565
• Wikidata: Q72477904
• Mol file: 374791-01-2.mol

Synonyms:DTXSID30958565;AKOS015900698;3-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(3-nitrophenyl)propanoate

Chemical Property of 3-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(3-nitrophenyl)propanoate

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 8.37E-19mmHg at 25°C
• Melting Point: 140°C
• Boiling Point: 668.9°C at 760mmHg
• Flash Point: 358.3°C
• PSA: 121.45000
• Density: 1.37g/cm³
• LogP: 5.56340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 431.12431133
• Heavy Atom Count: 32
• Complexity: 667

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-(S)-3-amino-3-(3-nitrophenyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

Useful:

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