Cas no 84000-74-8 (2-Tert-butyl-4,6-dinitrophenol;methanamine)

2-Tert-butyl-4,6-dinitrophenol;methanamine structure
84000-74-8 structure
Product Name:2-Tert-butyl-4,6-dinitrophenol;methanamine
CAS No:84000-74-8
MF:C11H17N3O5
MW:271.269782781601
CID:888905
Update Time:2023-08-03

2-Tert-butyl-4,6-dinitrophenol;methanamine Chemical and Physical Properties

Names and Identifiers

    • 2-tert-butyl-4,6-dinitrophenol, compound with methylamine (1:1)
    • 2-tert-butyl-4,6-dinitrophenol,methanamine
    • 2-tert-Butyl-4,6-dinitrophenol--methanamine (1/1)
    • 2-Tert-butyl-4,6-dinitrophenol;methanamine
    • Inchi: 1S/C10H12N2O5.CH5N/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17;1-2/h4-5,13H,1-3H3;2H2,1H3
    • InChI Key: TVZLWEAKUQLGNV-UHFFFAOYSA-N
    • SMILES: OC1C(=CC(=CC=1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-].NC

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 316
  • Topological Polar Surface Area: 138
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