O-(pyridin-3-ylmethyl)hydroxylamine

• ChemBase ID: 241758
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1cc(CON)ccc1
• Canonical SMILES: NOCc1cccnc1
• InChI: InChI=1S/C6H8N2O/c7-9-5-6-2-1-3-8-4-6/h1-4H,5,7H2
• InChIKey: TVPSRTVMZGECAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(pyridin-3-ylmethyl)hydroxylamine
• IUPAC Traditional name: O-(pyridin-3-ylmethyl)hydroxylamine
• Synonyms: O-(pyridin-3-ylmethyl)hydroxylamine

Database IDs

• MDL Number: MFCD13175304
• PubChem SID: 164297668
• PubChem CID: 12213991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13059226
• LogD (pH = 7.4): 0.14409076
• Log P: 0.14426504
• Molar Refractivity: 34.7867 cm^3
• Polarizability: 13.481493 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.332

Product Information

• Purity: 95%