Cas no 56153-66-3 (N,N,N',N'-TETRAMETHYL-D12-1,4-BENZENEDIAMINE)

N,N,N',N'-TETRAMETHYL-D12-1,4-BENZENEDIAMINE structure
56153-66-3 structure
Product Name:N,N,N',N'-TETRAMETHYL-D12-1,4-BENZENEDIAMINE
CAS No:56153-66-3
MF:C10H16N2
MW:164.247442245483
CID:944983
Update Time:2024-06-13

N,N,N',N'-TETRAMETHYL-D12-1,4-BENZENEDIAMINE Chemical and Physical Properties

Names and Identifiers

    • N,N,N',N'-TETRAMETHYL-D12-1,4-BENZENEDIAMINE
    • N,N,N',N'-Tetra(methyl-d3)-1,4-benzenediamine
    • Inchi: 1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
    • InChI Key: CJAOGUFAAWZWNI-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(N(C([H])([H])[H])C([H])([H])[H])=CC=1)(C([H])([H])[H])C([H])([H])[H]

Computed Properties

  • Exact Mass: 176.207
  • Monoisotopic Mass: 176.207
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 108
  • 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: 2.6
  • Topological Polar Surface Area: 6.5A^2
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