Cas no 87689-21-2 (1,6-Diazabicyclo[3.1.0]hexane, 6-chloro-5-methyl-)

1,6-Diazabicyclo[3.1.0]hexane, 6-chloro-5-methyl- structure
87689-21-2 structure
Product Name:1,6-Diazabicyclo[3.1.0]hexane, 6-chloro-5-methyl-
CAS No:87689-21-2
MF:C5H9ClN2
MW:132.591359853745
CID:653475
PubChem ID:13147406
Update Time:2025-04-19

1,6-Diazabicyclo[3.1.0]hexane, 6-chloro-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,6-Diazabicyclo[3.1.0]hexane, 6-chloro-5-methyl-
    • 6-chloro-1-methyl-5,6-diazabicyclo[3.1.0]hexane
    • 6-Chloro-5-methyl-1,6-diazabicyclo[3.1.0]hexane
    • DTXSID00521962
    • 87689-21-2
    • Inchi: 1S/C5H9ClN2/c1-5-3-2-4-7(5)8(5)6/h2-4H2,1H3
    • InChI Key: LJGAFWIXAHFSDN-UHFFFAOYSA-N
    • SMILES: ClN1C2(C)CCCN12

Computed Properties

  • Exact Mass: 132.0454260g/mol
  • Monoisotopic Mass: 132.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 128
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 6?2
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