amino diphenylphosphinate

• ChemBase ID: 70726
• Molecular Formular: C12H12NO2P
• Molecular Mass: 233.202941
• Monoisotopic Mass: 233.06056526
• SMILES: NOP(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: NOP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H12NO2P/c13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2
• InChIKey: SJECIYLGISUNRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: amino diphenylphosphinate
• IUPAC Traditional name: amino diphenylphosphinate
• Synonyms: O-Diphenylphosphinylhydroxylamine; (AMinooxy)diphenylphosphine oxide

Database IDs

• CAS Number: 72804-96-7
• MDL Number: MFCD12755701
• PubChem SID: 162036439
• PubChem CID: 10955453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0836616
• LogD (pH = 7.4): 3.0853782
• Log P: 3.0854
• Molar Refractivity: 64.2258 cm^3
• Polarizability: 25.358276 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%