Cas no 22421-85-8 (Phosphoric triamide, hexabutyl-)

Phosphoric triamide, hexabutyl- structure
22421-85-8 structure
Product Name:Phosphoric triamide, hexabutyl-
CAS No:22421-85-8
MF:C24H54N3OP
MW:431.678827762604
CID:238732
PubChem ID:13378731
Update Time:2025-04-19

Phosphoric triamide, hexabutyl- Chemical and Physical Properties

Names and Identifiers

    • Phosphoric triamide, hexabutyl-
    • N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine
    • N,N,N',N',N'',N''-Hexabutylphosphoric triamide
    • phosphoric acid tris-(dibutylamide)
    • CQKIJHDQEAQSSZ-UHFFFAOYSA-N
    • DTXSID10538748
    • SCHEMBL9246188
    • 22421-85-8
    • hexabutyltriamidophosphate
    • Inchi: 1S/C24H54N3OP/c1-7-13-19-25(20-14-8-2)29(28,26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3
    • InChI Key: CQKIJHDQEAQSSZ-UHFFFAOYSA-N
    • SMILES: P(N(CCCC)CCCC)(N(CCCC)CCCC)(N(CCCC)CCCC)=O

Computed Properties

  • Exact Mass: 431.40082
  • Monoisotopic Mass: 431.40045035g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 21
  • Complexity: 325
  • 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: 7.6
  • Topological Polar Surface Area: 26.8?2

Experimental Properties

  • PSA: 26.79
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