N-[5-(hydroxyimino)pentylidene]hydroxylamine

• ChemBase ID: 110406
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: O/N=C/CCC/C=N/O
• Canonical SMILES: O/N=C/CCC/C=N/O
• InChI: InChI=1S/C5H10N2O2/c8-6-4-2-1-3-5-7-9/h4-5,8-9H,1-3H2
• InChIKey: AVRPCDNPQAKCNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(hydroxyimino)pentylidene]hydroxylamine
• IUPAC Traditional name: N-[5-(hydroxyimino)pentylidene]hydroxylamine
• Synonyms: GLUTARALDEHYDE DIOXIME

Database IDs

• PubChem SID: 162106376
• PubChem CID: 9604604

CALCULATED PROPERTIES

• Acid pKa: 10.391755
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.25362635
• LogD (pH = 7.4): -0.2526487
• Log P: -0.25218722
• Molar Refractivity: 33.9306 cm^3
• Polarizability: 12.826304 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214871

MP Biomedicals Rare Chemical collection