Cas no 513-00-8 (iso-OMPA)

iso-OMPA structure
iso-OMPA structure
Product Name:iso-OMPA
CAS No:513-00-8
MF:C12H32N4O3P2
MW:342.35500
CID:375941
PubChem ID:24278724
Update Time:2024-11-09

iso-OMPA Chemical and Physical Properties

Names and Identifiers

    • Diphosphoramide,N,N',N'',N'''-tetrakis(1-methylethyl)-
    • Tetraisopropyl pyrophosphoramide
    • (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • ISO-OMPA
    • Tetra(monoisopropyl)pyrophosphortetramide iso-OMPA
    • Tetra(monoisopropyl)pyrophosphortetramide
    • HY-131922
    • CS-0143402
    • NCGC00016002-05
    • SR-01000076147
    • HMS3263N09
    • EU-0101184
    • InChI=1/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
    • Tetraisopropyl pyrophos-phoramide
    • ({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-ylamino)phosphoryl)(propan-2-yl)amine
    • 513-00-8
    • NS00043577
    • NCGC00016002-03
    • N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amin
    • NCGC00094438-01
    • Tetraisopropylpyrophosphoramide
    • SR-01000076147-1
    • HMS2236P05
    • NCGC00016002-06
    • NCGC00016002-04
    • Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)-
    • Lopac-T-1505
    • DTXSID00965589
    • Pyrophosphorotetramide, N,N',N'',N'''-tetra(isopropyl)-
    • NCGC00261869-01
    • EINECS 208-149-5
    • SCHEMBL6263949
    • N,N',N'',N'''-Tetraisopropyldiphosphoramide
    • SDCCGSBI-0051151.P002
    • NCGC00016002-01
    • LP01184
    • Lopac0_001184
    • N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
    • NCGC00016002-02
    • CHEMBL494887
    • T 1505
    • N-[Bis(isopropylamino)phosphoryloxy-(isopropylamino)phosphoryl]propan-2-amine
    • IOIMDJXKIMCMIG-UHFFFAOYSA-
    • AKOS016015535
    • SMR001230724
    • Tox21_501184
    • TETRAISOPROPYLPYROPHOSPHAMIDE
    • BDBM10625
    • N,N',N'',N -tetra-iso-Propylpyrophosphoramide
    • Tetraisoproryl Pyrophosphoramide
    • NCGC00094438-02
    • MLS002153308
    • DB-051938
    • Tetraisopropyl pyrophosphoramide, butyrylcholinesterase inhibitor
    • HMS3372B16
    • CHEBI:182475
    • CCG-205258
    • iso-OMPA
    • MDL: MFCD00048272
    • Inchi: InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
    • InChI Key: IOIMDJXKIMCMIG-UHFFFAOYSA-N
    • SMILES: CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C

Computed Properties

  • Exact Mass: 342.19500
  • Monoisotopic Mass: 342.19496489g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 616
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: nothing
  • Topological Polar Surface Area: 91.5?2

Experimental Properties

  • PSA: 111.11000
  • LogP: 4.77480

iso-OMPA Security Information

iso-OMPA Pricemore >>

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