N-(diphenylmethylidene)hydroxylamine

• ChemBase ID: 295312
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: c1ccc(cc1)/C(=N/O)/c1ccccc1
• Canonical SMILES: O/N=C(/c1ccccc1)\c1ccccc1
• InChI: InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H
• InChIKey: DNYZBFWKVMKMRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diphenylmethylidene)hydroxylamine
• IUPAC Traditional name: methanone, diphenyl-, oxime
• Synonyms: Benzophenone oxime; 二苯甲酮肟

Database IDs

• CAS Number: 574-66-3
• EC Number: 209-373-6
• MDL Number: MFCD00051461
• Beilstein Number: 1869643
• Merck Index: 141098
• PubChem SID: 180680843
• PubChem CID: 11324

CALCULATED PROPERTIES

• Acid pKa: 9.322593
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4408283
• LogD (pH = 7.4): 3.4369056
• Log P: 3.4420786
• Molar Refractivity: 60.4552 cm^3
• Polarizability: 23.183483 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-143°C

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: DJ1810000
• TSCA Listed: 是

Product Information

• Purity: 97%

REFERENCES

• Reductive alkylation with Na metal in liquid ammonia in the presence of an alkyl halide leads to 1,1-diphenylalkylamines: Bull. Soc. Chim. Fr., 2916 (1968).