N-[(1E)-cycloheptylidene]hydroxylamine

• ChemBase ID: 257317
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: N(=C1CCCCCC1)O
• Canonical SMILES: ON=C1CCCCCC1
• InChI: InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2
• InChIKey: OENGSNXUALAIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1E)-cycloheptylidene]hydroxylamine
• IUPAC Traditional name: N-[(1E)-cycloheptylidene]hydroxylamine
• Synonyms: cycloheptanone oxime

Database IDs

• CAS Number: 2158-31-8
• MDL Number: MFCD00046508
• PubChem SID: 164313227
• PubChem CID: 137457

CALCULATED PROPERTIES

• Acid pKa: 12.105103
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.938486
• LogD (pH = 7.4): 1.9421867
• Log P: 1.9422427
• Molar Refractivity: 36.6701 cm^3
• Polarizability: 14.31213 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.754

Product Information

• Purity: 95%