benzyl 2-[(diphenylmethylidene)amino]acetate

• ChemBase ID: 69317
• Molecular Formular: C22H19NO2
• Molecular Mass: 329.39176
• Monoisotopic Mass: 329.14157885
• SMILES: C(=O)(C/N=C(\c1ccccc1)/c1ccccc1)OCc1ccccc1
• Canonical SMILES: O=C(C/N=C(\c1ccccc1)/c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C22H19NO2/c24-21(25-17-18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
• InChIKey: KFNIDRLZPBRDNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-[(diphenylmethylidene)amino]acetate
• IUPAC Traditional name: benzyl 2-[(diphenylmethylidene)amino]acetate
• Synonyms: Diphenylmethylene-glycine benzyl ester

Database IDs

• CAS Number: 81477-91-0
• MDL Number: MFCD08062206
• PubChem SID: 162035044
• PubChem CID: 11782449

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0115123
• LogD (pH = 7.4): 5.017214
• Log P: 5.017287
• Molar Refractivity: 99.0536 cm^3
• Polarizability: 38.384815 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%