O-(oxetan-3-yl)hydroxylamine

• ChemBase ID: 246809
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: O1CC(ON)C1
• Canonical SMILES: NOC1COC1
• InChI: InChI=1S/C3H7NO2/c4-6-3-1-5-2-3/h3H,1-2,4H2
• InChIKey: WJDQJMJEIKZFFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(oxetan-3-yl)hydroxylamine
• IUPAC Traditional name: O-(oxetan-3-yl)hydroxylamine
• Synonyms: O-(oxetan-3-yl)hydroxylamine

Database IDs

• MDL Number: MFCD21920849
• PubChem SID: 164302719
• PubChem CID: 58190526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5582438
• LogD (pH = 7.4): -0.5217547
• Log P: -0.521269
• Molar Refractivity: 21.0757 cm^3
• Polarizability: 8.492418 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.847

Product Information

• Purity: 95%