Cas no 131206-85-4 (1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-)

1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso- structure
131206-85-4 structure
Product Name:1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CAS No:131206-85-4
MF:C9H10ClN5O
MW:239.661599636078
CID:172566
PubChem ID:183033
Update Time:2025-04-19

1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
    • N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitrous amide
    • 1-[(6-Chloropyridin-3-yl)methyl]-N-nitroso-4,5-dihydro-1H-imidazol-2-amine
    • SCHEMBL20881161
    • SCHEMBL10060150
    • DTXSID0073871
    • 1-[(6-chloro-3-pyridinyl) methyl]-N-nitroso-2-imidazolidimine
    • NTN33893-nitrosimine
    • 1H-Imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitroso-
    • NS00014293
    • 131206-85-4
    • 1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
    • Inchi: 1S/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)
    • InChI Key: BGJQJWBDOOIKPP-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=N1)CN1C(NN=O)=NCC1

Computed Properties

  • Exact Mass: 239.0576
  • Monoisotopic Mass: 239.057388
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 285
  • 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
  • Topological Polar Surface Area: 70
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.52
  • Boiling Point: 389°Cat760mmHg
  • Flash Point: 189°C
  • Refractive Index: 1.699
  • PSA: 69.95

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