Cas no 868065-45-6 (1-(5-Methylpyridin-2-yl)-1,4-diazepane)

1-(5-Methylpyridin-2-yl)-1,4-diazepane structure
868065-45-6 structure
Product Name:1-(5-Methylpyridin-2-yl)-1,4-diazepane
CAS No:868065-45-6
MF:C11H17N3
MW:191.272782087326
CID:823588
PubChem ID:16780977
Update Time:2025-04-19

1-(5-Methylpyridin-2-yl)-1,4-diazepane Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Methylpyridin-2-yl)-1,4-diazepane
    • 1-(5-Methyl-pyridin-2-yl)-[1,4]diazepane
    • DTXSID40588392
    • AKOS000136463
    • FT-0738063
    • 868065-45-6
    • SCHEMBL5235313
    • DB-013727
    • 1H-1,4-Diazepine, hexahydro-1-(5-methyl-2-pyridinyl)-
    • MDL: MFCD09727673
    • Inchi: 1S/C11H17N3/c1-10-3-4-11(13-9-10)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3
    • InChI Key: SMKRVCKHWYQEGX-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(C)=CN=2)CCNCCC1

Computed Properties

  • Exact Mass: 191.142247555g/mol
  • Monoisotopic Mass: 191.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 1.4
  • Topological Polar Surface Area: 28.2?2

1-(5-Methylpyridin-2-yl)-1,4-diazepane Pricemore >>

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