Cas no 172549-15-4 (4-Methyl-3-nitrobenzene-1,2-diamine)

4-Methyl-3-nitrobenzene-1,2-diamine structure
172549-15-4 structure
Product Name:4-Methyl-3-nitrobenzene-1,2-diamine
CAS No:172549-15-4
MF:C7H9N3O2
MW:167.165261030197
CID:237100
Update Time:2023-08-03

4-Methyl-3-nitrobenzene-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • Benzenediamine,ar-methyl-ar-nitro- (9CI)
    • 4-methyl-3-nitrobenzene-1,2-diamine
    • diaminonitrotoluene
    • 1,2-Benzenediamine,4-methyl-3-nitro-
    • 3-nitro-4-methyl-1,2-phenylenediamine
    • 4-methyl-3-nitro-benzene-1,2-diamine
    • UOFSMFMNGAKHJO-UHFFFAOYSA-N
    • 3-Nitro-4-methylbenzene-1,2-diamine
    • 1,2-Benzenediamine, 4-methyl-3-nitro-
    • A808585
    • 4-Methyl-3-nitrobenzene-1,2-diamine
    • Inchi: 1S/C7H9N3O2/c1-4-2-3-5(8)6(9)7(4)10(11)12/h2-3H,8-9H2,1H3
    • InChI Key: UOFSMFMNGAKHJO-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(=C(C=CC=1C)N)N)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • Topological Polar Surface Area: 97.9
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