(Z)-N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine

• ChemBase ID: 265243
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N(=C(\CCc1ccc(cc1)OC)/C)\O
• Canonical SMILES: COc1ccc(cc1)CC/C(=N\O)/C
• InChI: InChI=1S/C11H15NO2/c1-9(12-13)3-4-10-5-7-11(14-2)8-6-10/h5-8,13H,3-4H2,1-2H3/b12-9-
• InChIKey: GBYOVSQIHCOUBT-XFXZXTDPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
• Synonyms: (E)-N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine

Database IDs

• MDL Number: MFCD09949604
• PubChem SID: 164321153
• PubChem CID: 28213743

CALCULATED PROPERTIES

• Acid pKa: 10.729344
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2364538
• LogD (pH = 7.4): 2.2367828
• Log P: 2.236997
• Molar Refractivity: 55.8026 cm^3
• Polarizability: 21.550777 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.138

Product Information

• Purity: 95%