N-cyclooctylidenehydroxylamine

• ChemBase ID: 138272
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1CCCC(=NO)CCC1
• Canonical SMILES: ON=C1CCCCCCC1
• InChI: InChI=1S/C8H15NO/c10-9-8-6-4-2-1-3-5-7-8/h10H,1-7H2
• InChIKey: KTPUHSVFNHULJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctylidenehydroxylamine
• IUPAC Traditional name: N-cyclooctylidenehydroxylamine
• Synonyms: Cyclooctanone oxime; 环辛酮肟

Database IDs

• CAS Number: 1074-51-7
• MDL Number: MFCD00191967
• PubChem SID: 162232529
• PubChem CID: 136841

CALCULATED PROPERTIES

• Acid pKa: 12.21574
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3818138
• LogD (pH = 7.4): 2.3867414
• Log P: 2.3868115
• Molar Refractivity: 41.2711 cm^3
• Polarizability: 16.15341 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-37°C; 43-44 °C (dec.)(lit.)
• Boiling Point: 128-129 °C/14 mmHg(lit.); 128-129°C/14mm

Safety Information

• German water hazard class: 3
• TSCA Listed: 否

Product Information

• Purity: 98+%; 99%
• Linear Formula: C8H14(=NOH)