Cas no 16339-05-2 (1-Pentanamine,N-butyl-N-nitroso-)

1-Pentanamine,N-butyl-N-nitroso- structure
16339-05-2 structure
Product Name:1-Pentanamine,N-butyl-N-nitroso-
CAS No:16339-05-2
MF:C9H20N2O
MW:172.267902374268
CID:169127
PubChem ID:27825
Update Time:2025-04-19

1-Pentanamine,N-butyl-N-nitroso- Chemical and Physical Properties

Names and Identifiers

    • 1-Pentanamine,N-butyl-N-nitroso-
    • N-butyl-N-pentylnitrous amide
    • N-NITROSO-N-BUTYL-N-PENTYLAMINE
    • BRN 2077676
    • Butylamylnitrosamin [German]
    • CCRIS 829
    • N-Butyl-N-amylnitrosamine
    • N-Butyl-N-nitrosoamylamine
    • N-Butyl-N-nitrosopentylamine
    • N-Butyl-N-pentylnitrosamine
    • N-Nitroso-N-butylpentylamine
    • PENTYLAMINE, N-BUTYL-N-NITROSO-
    • SCHEMBL23477341
    • Butylamylnitrosamin
    • CHEMBL164027
    • DTXSID70167573
    • PGJREAGDCYDOOF-UHFFFAOYSA-N
    • 1-Pentanamine, N-butyl-N-nitroso-
    • 1-Butyl-2-oxo-1-pentylhydrazine
    • 16339-05-2
    • AKOS006279298
    • Inchi: 1S/C9H20N2O/c1-3-5-7-9-11(10-12)8-6-4-2/h3-9H2,1-2H3
    • InChI Key: PGJREAGDCYDOOF-UHFFFAOYSA-N
    • SMILES: O=NN(CCCC)CCCCC

Computed Properties

  • Exact Mass: 172.1577
  • Monoisotopic Mass: 172.158
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 107
  • 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: 3.2
  • Topological Polar Surface Area: 32.7A^2

Experimental Properties

  • Density: 0.9845 (rough estimate)
  • Boiling Point: 302.61°C (rough estimate)
  • Flash Point: 116.2°C
  • Refractive Index: 1.5800 (estimate)
  • PSA: 32.67
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