N-(propan-2-yl)hydroxylamine

• ChemBase ID: 240508
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: N(O)C(C)C
• Canonical SMILES: ONC(C)C
• InChI: InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
• InChIKey: ODHYIQOBTIWVRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)hydroxylamine
• IUPAC Traditional name: N-isopropylhydroxylamine
• Synonyms: N-(propan-2-yl)hydroxylamine

Database IDs

• MDL Number: MFCD02874394
• PubChem SID: 164296418
• PubChem CID: 78763

CALCULATED PROPERTIES

• Acid pKa: 15.646565
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.11585049
• LogD (pH = 7.4): 0.254475
• Log P: 0.25656268
• Molar Refractivity: 31.3436 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): -0.266

Product Information

• Purity: 95%