(E)-N'-hydroxy-2-phenylethenimidamide

• ChemBase ID: 252958
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=N\O)(\Cc1ccccc1)/N
• Canonical SMILES: O/N=C(\Cc1ccccc1)/N
• InChI: InChI=1S/C8H10N2O/c9-8(10-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
• InChIKey: FVYBAJYRRIYNBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxy-2-phenylethenimidamide
• IUPAC Traditional name: (E)-N'-hydroxy-2-phenylethenimidamide
• Synonyms: (1E)-N'-hydroxy-2-phenylethanimidamide; N'-Hydroxy-2-phenylethanimidamide; 2-Phenylacetamidoxime

Database IDs

• CAS Number: 19227-11-3
• MDL Number: MFCD00019953; MFCD05864463
• PubChem SID: 164308868
• PubChem CID: 6074309

CALCULATED PROPERTIES

• Acid pKa: 11.617719
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.63641083
• LogD (pH = 7.4): 0.8667335
• Log P: 0.8706979
• Molar Refractivity: 43.1316 cm^3
• Polarizability: 16.561853 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-67°C
• Hydrophobicity(logP): 1.357

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%