Cas no 6972-76-5 (1,3-Propanediamine,N1,N3-dimethyl-N1,N3-dinitroso-)

1,3-Propanediamine,N1,N3-dimethyl-N1,N3-dinitroso- structure
6972-76-5 structure
Product Name:1,3-Propanediamine,N1,N3-dimethyl-N1,N3-dinitroso-
CAS No:6972-76-5
MF:C5H12N4O2
MW:160.174380302429
CID:514380
PubChem ID:81446
Update Time:2025-04-19

1,3-Propanediamine,N1,N3-dimethyl-N1,N3-dinitroso- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine,N1,N3-dimethyl-N1,N3-dinitroso-
    • DINITROSODIMETHYLPROPANEDIAMINE
    • N-methyl-N-[3-[methyl(nitroso)amino]propyl]nitrous amide
    • 1,3-Bis-methylnitrosamino-propan
    • 1,3-Propanediamine, N,N'-dimethyl-N,N'-dinitroso-
    • 2,6-Dinitroso-2,6-diazaheptan
    • AC1L31CL
    • BRN 2254328
    • N,N'-Dimethyl-N,N'-dinitroso-1,3-propanediamine
    • N,N'-Dinitroso-N,N'-dimethyl-1,3-propanediamine
    • NSC62580
    • UNII-FH63FH0RLD
    • NSC-62580
    • N1,N3-Dimethyl-N1,N3-dinitroso-1,3-propanediamine
    • 6972-76-5
    • N,N'-dinitroso-1,3-propanediamine
    • NSC 62580
    • AKOS006275920
    • CHEMBL168195
    • FH63FH0RLD
    • DINITROSO-N,N'-DIMETHYL-1,3-PROPANEDIAMINE, N,N'-
    • DTXSID30220012
    • 1,3-propanediamine, n1,n3-dimethyl-n1,n3-dinitroso-
    • WLN: ONN1&3N1&NO
    • Inchi: 1S/C5H12N4O2/c1-8(6-10)4-3-5-9(2)7-11/h3-5H2,1-2H3
    • InChI Key: BUEVBYZCPKOUOP-UHFFFAOYSA-N
    • SMILES: O=NN(C)CCCN(C)N=O

Computed Properties

  • Exact Mass: 160.09616
  • Monoisotopic Mass: 160.09602564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 116
  • 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: 0.5
  • Topological Polar Surface Area: 65.3?2

Experimental Properties

  • Density: 1.2833 (rough estimate)
  • Boiling Point: 286.07°C (rough estimate)
  • Flash Point: 175.4°C
  • Refractive Index: 1.7900 (estimate)
  • PSA: 65.34
  • LogP: 0.60290
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