bis(4-ethoxyphenyl)diazene

• ChemBase ID: 295647
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: CCOc1ccc(cc1)/N=N/c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)/N=N/c1ccc(cc1)OCC
• InChI: InChI=1S/C16H18N2O2/c1-3-19-15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20-4-2/h5-12H,3-4H2,1-2H3
• InChIKey: FMPYMMTZQFFROU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-ethoxyphenyl)diazene
• IUPAC Traditional name: diazene, bis(4-ethoxyphenyl)-
• Synonyms: 4,4'-Diethoxyazobenzene; 4,4'-二乙氧基偶氮苯

Database IDs

• CAS Number: 588-52-3
• MDL Number: MFCD00053756
• PubChem SID: 180681178
• PubChem CID: 101783

CALCULATED PROPERTIES

• Polarizability: 30.278645 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.777404
• LogD (pH = 7.4): 4.777413
• Log P: 4.777413
• Molar Refractivity: 82.8006 cm^3

PROPERTIES

Safety Information

• RTECS: HM2966300
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36-60
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 97%