(1E,2E)-N1,N2-bis(4-methoxyphenyl)ethane-1,2-diimine

• ChemBase ID: 816136
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: N(=C\C=N\c1ccc(cc1)OC)/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=C/C=N/c1ccc(cc1)OC
• InChI: InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+
• InChIKey: IRMGPOUTEGABKC-JYFOCSDGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E,2E)-N1,N2-bis(4-methoxyphenyl)ethane-1,2-diimine
• IUPAC Traditional name: (1E,2E)-N1,N2-bis(4-methoxyphenyl)ethane-1,2-diimine
• Synonyms: N-(4-METHOXYPHENYL)-N-((1E,2E)-2-[(4-METHOXYPHENYL)IMINO]ETHYLIDENE)AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0035305
• LogD (pH = 7.4): 4.004563
• Log P: 4.004576
• Molar Refractivity: 82.979 cm^3
• Polarizability: 30.054718 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%