(E)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine

• ChemBase ID: 298438
• Molecular Formular: C12H10N2O
• Molecular Mass: 198.2206
• Monoisotopic Mass: 198.07931295
• SMILES: c1ccc(cc1)/C(=N\O)/c1ccccn1
• Canonical SMILES: O/N=C(/c1ccccn1)\c1ccccc1
• InChI: InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12+
• InChIKey: RSJDEVMJZLLAHS-WYMLVPIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
• Synonyms: 2-Benzoylpyridine ketoxime; Phenyl 2-pyridyl ketoxime; 苯基 2-吡啶基 酮肟

Database IDs

• CAS Number: 1826-28-4
• EC Number: 217-374-8
• MDL Number: MFCD00006310
• Beilstein Number: 142387
• PubChem SID: 180683969
• PubChem CID: 5375535

CALCULATED PROPERTIES

• Acid pKa: 7.3561506
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6039476
• LogD (pH = 7.4): 2.2886791
• Log P: 2.6102564
• Molar Refractivity: 57.9263 cm^3
• Polarizability: 22.263386 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154-156°C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-37/38-41
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H301-H315-H335-H318
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%