(diphenylphosphoroso)bis(propan-2-yl)amine

• ChemBase ID: 143553
• Molecular Formular: C18H24NOP
• Molecular Mass: 301.363021
• Monoisotopic Mass: 301.15955102
• SMILES: CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(N(P(=O)(c1ccccc1)c1ccccc1)C(C)C)C
• InChI: InChI=1S/C18H24NOP/c1-15(2)19(16(3)4)21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3
• InChIKey: DOUWMTROIMIUBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylphosphoroso)bis(propan-2-yl)amine
• IUPAC Traditional name: (diphenylphosphoroso)diisopropylamine
• Synonyms: N,N-Diisopropyl-P,P-diphenylphosphinicamide; N,N-Diisopropyl-P,P-diphenylphosphinamide

Database IDs

• CAS Number: 131173-04-1
• MDL Number: MFCD00561004
• PubChem SID: 162237771
• PubChem CID: 3722461

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3426447
• LogD (pH = 7.4): 4.4490304
• Log P: 4.4524
• Molar Refractivity: 89.8197 cm^3
• Polarizability: 35.361824 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-122 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H24NOP

DETAILS

Sigma Aldrich - 738166

Packaging
1 g in glass bottle