N-cyclobutylidenehydroxylamine

• ChemBase ID: 87116
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: N(=C1CCC1)O
• Canonical SMILES: ON=C1CCC1
• InChI: InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2
• InChIKey: YDYCXDWUKJSHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutylidenehydroxylamine
• IUPAC Traditional name: N-cyclobutylidenehydroxylamine
• Synonyms: cyclobutan-1-one oxime; N-cyclobutylidenehydroxylamine

Database IDs

• MDL Number: MFCD00114552
• PubChem SID: 162074232
• PubChem CID: 546078

CALCULATED PROPERTIES

• Acid pKa: 11.466313
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60823077
• LogD (pH = 7.4): 0.6084958
• Log P: 0.6085367
• Molar Refractivity: 22.8671 cm^3
• Polarizability: 8.800313 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 0.077

Product Information

• Purity: 95%