Cas no 13096-22-5 (1-aziridinyl-3-pyridinyl-Methanone)

1-aziridinyl-3-pyridinyl-Methanone structure
13096-22-5 structure
Product Name:1-aziridinyl-3-pyridinyl-Methanone
CAS No:13096-22-5
MF:C8H8N2O
MW:148.16192150116
CID:148191
PubChem ID:202690
Update Time:2025-04-19

1-aziridinyl-3-pyridinyl-Methanone Chemical and Physical Properties

Names and Identifiers

    • 1-aziridinyl-3-pyridinyl-Methanone
    • aziridin-1-yl(pyridin-3-yl)methanone
    • Aziridine, 1-(3-pyridinylcarbonyl)- (9CI)
    • Methanone,1-aziridinyl-3-pyridinyl-
    • 3-(1-Aziridinylcarbonyl)pyridine
    • BRN 0121910
    • Nicotinoylethylenimine
    • N-Nicotinoylethylenimine
    • Pyridine, 3-(1-aziridinylcarbonyl)-
    • 13096-22-5
    • DTXSID80156817
    • Inchi: 1S/C8H8N2O/c11-8(10-4-5-10)7-2-1-3-9-6-7/h1-3,6H,4-5H2
    • InChI Key: FKQIQYJYXCZCMQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=NC=CC=1)N1CC1

Computed Properties

  • Exact Mass: 148.06374
  • Monoisotopic Mass: 148.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.293
  • Boiling Point: 301.6°Cat760mmHg
  • Flash Point: 136.2°C
  • Refractive Index: 1.625
  • PSA: 32.97
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