tris(triethylazanium) phosphate

• ChemBase ID: 111423
• Molecular Formular: C18H48N3O4P
• Molecular Mass: 401.565181
• Monoisotopic Mass: 401.33824366
• SMILES: [O-]P(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC
• Canonical SMILES: [O-]P(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC
• InChI: InChI=1S/3C6H15N.H3O4P/c3*1-4-7(5-2)6-3;1-5(2,3)4/h3*4-6H2,1-3H3;(H3,1,2,3,4)
• InChIKey: UBLQIESZTDNNAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(triethylazanium) phosphate
• IUPAC Traditional name: tris(TEAH) phosphate
• Synonyms: TRIETHYLAMMONIUM PHOSPHATE, 40% IN ORGANIC SOLVENT

Database IDs

• PubChem SID: 162106513
• PubChem CID: 15768522

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 45.2508 cm^3
• Polarizability: 13.265366 Å^3
• Polar Surface Area: 4.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219123

MP Biomedicals Rare Chemical collection