tetrahexylazanium dihydrogen phosphate

• ChemBase ID: 156559
• Molecular Formular: C24H54NO4P
• Molecular Mass: 451.663621
• Monoisotopic Mass: 451.37904584
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.OP(=O)(O)[O-]
• Canonical SMILES: [O-]P(=O)(O)O.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C24H52N.H3O4P/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
• InChIKey: ITLADWLZFFSZKW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium dihydrogen phosphate
• IUPAC Traditional name: tetrahexylazanium dihydrogen phosphate
• Synonyms: Tetrahexylammonium dihydrogen phosphate solution; 四己基磷酸二氢铵 溶液

Database IDs

• CAS Number: 87700-05-8
• MDL Number: MFCD01863122
• PubChem SID: 162250696; 24888886
• PubChem CID: 13118288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 210 nm Amax: 0.10; λ: 230 nm Amax: 0.06; λ: 330 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: for ion pair chromatography
• Suitability: corresponds to standard for filter test
• Quality: ampule
• λ: in concentrate
• Empirical Formula (Hill Notation): C24H54NO4P

DETAILS

Sigma Aldrich - 87313

Packaging
concentrate in ampules for 6x1 l 0.005 M ready-to-use solution