(Z)-N-[cyclopropyl(phenyl)methylidene]hydroxylamine

• ChemBase ID: 256341
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: C1(/C(=N/O)/c2ccccc2)CC1
• Canonical SMILES: O/N=C(\c1ccccc1)/C1CC1
• InChI: InChI=1S/C10H11NO/c12-11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/b11-10+
• InChIKey: RVNAYDOTXJROPF-ZHACJKMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[cyclopropyl(phenyl)methylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[cyclopropyl(phenyl)methylidene]hydroxylamine
• Synonyms: (Z)-cyclopropyl(phenyl)methanone oxime

Database IDs

• MDL Number: MFCD03093048
• PubChem SID: 164312251
• PubChem CID: 5463503

CALCULATED PROPERTIES

• Acid pKa: 8.53085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3191442
• LogD (pH = 7.4): 2.2892976
• Log P: 2.3201694
• Molar Refractivity: 47.6817 cm^3
• Polarizability: 18.373138 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.425

Product Information

• Purity: 95%