Cas no 70319-60-7 (1,3,4-trimethyl-1h-pyrrole-2-carbonitrile)

1,3,4-trimethyl-1h-pyrrole-2-carbonitrile structure
70319-60-7 structure
Product Name:1,3,4-trimethyl-1h-pyrrole-2-carbonitrile
CAS No:70319-60-7
MF:C8H10N2
MW:134.178401470184
CID:974967
Update Time:2024-03-05

1,3,4-trimethyl-1h-pyrrole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-trimethyl-1h-pyrrole-2-carbonitrile
    • 1H-Pyrrole-2-carbonitrile,1,3,4-trimethyl-(9CI)
    • 1,3,4-Trimethyl-piperazin-2,5-dion
    • 1,3,4-trimethyl-piperazine-2,5-dione
    • 1,3,4-TRIMETHYLPIPERAZINE-2,5-DIONE
    • 1,3,4-Trimethylpyrrol-2-carbonitril
    • 1,3,4-trimethyl-pyrrole-2-carbonitrile
    • 1H-Pyrrole-2-carbonitrile, 1,3,4-trimethyl-
    • Inchi: 1S/C8H10N2/c1-6-5-10(3)8(4-9)7(6)2/h5H,1-3H3
    • InChI Key: VTNXGDAOHQYWPN-UHFFFAOYSA-N
    • SMILES: N1(C)C=C(C)C(C)=C1C#N

Computed Properties

  • Exact Mass: 134.084
  • Monoisotopic Mass: 134.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 167
  • 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: 28.7A^2
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