Cas no 131768-12-2 (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
131768-12-2 structure
Product Name:Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N,N'-dimethyl-N''-nitro-
CAS No:131768-12-2
MF:C9H12ClN5O2
MW:257.676879882813
CID:1229091
Update Time:2024-08-05

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-
    • Inchi: 1S/C9H12ClN5O2/c1-11-9(13-15(16)17)14(2)6-7-3-4-8(10)12-5-7/h3-5H,6H2,1-2H3,(H,11,13)
    • InChI Key: NVPZDFHKMJRGOX-UHFFFAOYSA-N
    • SMILES: N(CC1=CC=C(Cl)N=C1)(C)C(=NC)N[N+]([O-])=O

Computed Properties

  • Exact Mass: 257.06816

Experimental Properties

  • Density: 1.37±0.1 g/cm3(Predicted)
  • Boiling Point: 412.1±55.0 °C(Predicted)
  • PSA: 83.66
  • pka: 3.82±0.50(Predicted)
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