bis(diethylamino)phosphinoyl chloride

• ChemBase ID: 287094
• Molecular Formular: C8H20ClN2OP
• Molecular Mass: 226.683961
• Monoisotopic Mass: 226.10017758
• SMILES: O=P(N(CC)CC)(Cl)N(CC)CC
• Canonical SMILES: CCN(P(=O)(N(CC)CC)Cl)CC
• InChI: InChI=1S/C8H20ClN2OP/c1-5-10(6-2)13(9,12)11(7-3)8-4/h5-8H2,1-4H3
• InChIKey: HKKBJRUSFKTHSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(diethylamino)phosphinoyl chloride
• IUPAC Traditional name: didiethylaminophosphinoyl chloride
• Synonyms: Bis(diethylamino)phosphoryl chloride

Database IDs

• CAS Number: 1794-24-7
• MDL Number: MFCD00137958
• PubChem SID: 180672625
• PubChem CID: 74528

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9174735
• LogD (pH = 7.4): 0.91747665
• Log P: 0.91747665
• Molar Refractivity: 59.8756 cm^3
• Polarizability: 22.92186 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%