N-[(4-phenylphenyl)methylidene]hydroxylamine

• ChemBase ID: 111846
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: O/N=C/c1ccc(cc1)c1ccccc1
• Canonical SMILES: O/N=C/c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C13H11NO/c15-14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10,15H
• InChIKey: OUNAWNXTMKAPFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-phenylphenyl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[(4-phenylphenyl)methylidene]hydroxylamine
• Synonyms: 4-Phenylbenzaldoxime; P-PHENYLBENZALDOXIME; 4-苯基苯甲醛肟

Database IDs

• CAS Number: 40143-27-9
• MDL Number: MFCD00016415
• PubChem SID: 162096908; 24898611
• PubChem CID: 5380398

CALCULATED PROPERTIES

• Acid pKa: 8.9163475
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3400822
• LogD (pH = 7.4): 3.329373
• Log P: 3.3424532
• Molar Refractivity: 61.5999 cm^3
• Polarizability: 24.620796 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Grade: analytical standard
• Empirical Formula (Hill Notation): C13H11NO

DETAILS

MP Biomedicals - 05221327

MP Biomedicals Rare Chemical collection