(Z)-N-(3-methylbutan-2-ylidene)hydroxylamine

• ChemBase ID: 256994
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N(=C(\C(C)C)/C)\O
• Canonical SMILES: CC(/C(=N\O)/C)C
• InChI: InChI=1S/C5H11NO/c1-4(2)5(3)6-7/h4,7H,1-3H3/b6-5-
• InChIKey: HZCRFUPEBRNAAI-WAYWQWQTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-(3-methylbutan-2-ylidene)hydroxylamine
• IUPAC Traditional name: (Z)-N-(3-methylbutan-2-ylidene)hydroxylamine
• Synonyms: (2Z)-3-methylbutan-2-one oxime

Database IDs

• MDL Number: MFCD00126852
• PubChem SID: 164312904
• PubChem CID: 5382586

CALCULATED PROPERTIES

• Acid pKa: 11.478787
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3571254
• LogD (pH = 7.4): 1.3592162
• Log P: 1.3592818
• Molar Refractivity: 29.2179 cm^3
• Polarizability: 11.358007 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.96

Product Information

• Purity: 95%