Cas no 89009-74-5 (1H-1,4-Diazepine-1-propanamide, hexahydro-N-propyl-)

1H-1,4-Diazepine-1-propanamide, hexahydro-N-propyl- structure
89009-74-5 structure
Product Name:1H-1,4-Diazepine-1-propanamide, hexahydro-N-propyl-
CAS No:89009-74-5
MF:C11H23N3O
MW:213.31982254982
CID:616138
PubChem ID:54773684
Update Time:2025-04-19

1H-1,4-Diazepine-1-propanamide, hexahydro-N-propyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,4-Diazepine-1-propanamide, hexahydro-N-propyl-
    • 3-(1,4-diazepan-1-yl)-N-propylpropanamide
    • 89009-74-5
    • DTXSID20716757
    • Inchi: 1S/C11H23N3O/c1-2-5-13-11(15)4-9-14-8-3-6-12-7-10-14/h12H,2-10H2,1H3,(H,13,15)
    • InChI Key: ZVYWJRFUEZWXTD-UHFFFAOYSA-N
    • SMILES: O=C(CCN1CCNCCC1)NCCC

Computed Properties

  • Exact Mass: 213.184112366g/mol
  • Monoisotopic Mass: 213.184112366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 185
  • 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: 0.1
  • Topological Polar Surface Area: 44.4?2
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