2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(2-methylphenyl)propanoate

Base Information

• Chemical Name: 2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(2-methylphenyl)propanoate
• CAS No.: 135944-06-8
• Molecular Formula: C₂₅H₂₃NO₄
• Molecular Weight: 401.462
• DSSTox Substance ID: DTXSID40929185
• Mol file: 135944-06-8.mol

Synonyms:DTXSID40929185;2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(2-methylphenyl)propanoate

Chemical Property of 2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(2-methylphenyl)propanoate

Chemical Property:

• Melting Point: 157-164 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 631.1°Cat760mmHg
• PKA: 3.81±0.11(Predicted)
• Flash Point: 335.4°C
• PSA: 75.63000
• Density: g/cm³
• LogP: 4.92030
• Storage Temp.: 0-6°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 400.15488318
• Heavy Atom Count: 30
• Complexity: 580

Purity/Quality:

98%Min ^*data from raw suppliers

DL-N-FMOC-2'-METHYLPHENYLALANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(C(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Isomeric SMILES: CC1=CC=CC=C1C[C@@H](C(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24