(Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine

• ChemBase ID: 265627
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=N\O)(\c1ccc(OCc2cnccc2)cc1)/C
• Canonical SMILES: O/N=C(\c1ccc(cc1)OCc1cccnc1)/C
• InChI: InChI=1S/C14H14N2O2/c1-11(16-17)13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12/h2-9,17H,10H2,1H3/b16-11-
• InChIKey: QPEKYMOYDZAFJD-WJDWOHSUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine
• IUPAC Traditional name: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine
• Synonyms: (Z)-N-{1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene}hydroxylamine

Database IDs

• MDL Number: MFCD09949618
• PubChem SID: 164321537
• PubChem CID: 28213769

CALCULATED PROPERTIES

• Acid pKa: 8.672787
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8291718
• LogD (pH = 7.4): 1.8661008
• Log P: 1.8895025
• Molar Refractivity: 69.2014 cm^3
• Polarizability: 26.621878 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.581

Product Information

• Purity: 95%