Cas no 68140-45-4 (2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate))

2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate) structure
68140-45-4 structure
Product Name:2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate)
CAS No:68140-45-4
MF:C6H18NO12P3
MW:389.127905368805
CID:969093
PubChem ID:62246
Update Time:2025-04-19

2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate) Chemical and Physical Properties

Names and Identifiers

    • 2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate)
    • 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
    • Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate)
    • Ethanol, 2,2',2''-nitrilotris-, tris(dihydrogen phosphate) (ester)
    • nitrilotriethane-2,1-diyl tris[dihydrogen (phosphate)]
    • Nitrilotris(ethyl phosphate)
    • Triethanolamine tris(dihydrogen phosphate)
    • Triethanolamine, triphosphate ester
    • 2,2',2''-nitrilotris-ethano tris(dihydrogen phosphate) (ester)
    • WAHIB S
    • SCHEMBL946310
    • 36YHT392ID
    • UNII-36YHT392ID
    • 68140-45-4
    • DTXSID6029410
    • Triethanolamine tris(dihydrogen phosphate) sodium salt
    • Q27256599
    • NS00090322
    • EINECS 268-796-4
    • Nitrilotris(ethane-2,1-diyl) tris(dihydrogen phosphate)
    • UITHHINVTNPXDF-UHFFFAOYSA-N
    • Inchi: 1S/C6H18NO12P3/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
    • InChI Key: UITHHINVTNPXDF-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O

Computed Properties

  • Exact Mass: 389.00424
  • Monoisotopic Mass: 389.00418600g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 12
  • Complexity: 385
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -7.4
  • Topological Polar Surface Area: 204?2

Experimental Properties

  • PSA: 203.52
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