Cas no 131748-48-6 (Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro-)

Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro- structure
131748-48-6 structure
Product Name:Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro-
CAS No:131748-48-6
MF:C9H12ClN5O2
MW:257.676879882813
CID:1228865
PubChem ID:9816571
Update Time:2025-04-20

Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro- Chemical and Physical Properties

Names and Identifiers

    • Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro-
    • 2-[(6-chloropyridin-3-yl)methyl]-1,1-dimethyl-3-nitroguanidine
    • DTXSID40431238
    • 131748-48-6
    • Inchi: 1S/C9H12ClN5O2/c1-14(2)9(13-15(16)17)12-6-7-3-4-8(10)11-5-7/h3-5H,6H2,1-2H3,(H,12,13)
    • InChI Key: NRKRPOHWHYCORO-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=N1)C/N=C(/N[N+](=O)[O-])\N(C)C

Computed Properties

  • Exact Mass: 257.0679523g/mol
  • Monoisotopic Mass: 257.0679523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 292
  • 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: 86.3?2
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