Cas no 1211529-31-5 (5-Methyl-2-(piperazin-1-yl)benzonitrile)

5-Methyl-2-(piperazin-1-yl)benzonitrile structure
1211529-31-5 structure
Product Name:5-Methyl-2-(piperazin-1-yl)benzonitrile
CAS No:1211529-31-5
MF:C12H15N3
MW:201.267602205276
MDL:MFCD18311876
CID:1025046
PubChem ID:53217055
Update Time:2025-04-20

5-Methyl-2-(piperazin-1-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-(piperazin-1-yl)benzonitrile
    • BS-25656
    • 5-Methyl-2-piperazinobenzonitrile
    • CS-0456966
    • 5-methyl-2-piperazin-1-ylbenzonitrile
    • DB-359055
    • SCHEMBL20883839
    • 5-Methyl-2-piperazinobenzonitrile, tech grade
    • 1211529-31-5
    • AKOS015842084
    • GS1536
    • GS1535
    • A891914
    • DTXSID40682162
    • MFCD18311876
    • MDL: MFCD18311876
    • Inchi: 1S/C12H15N3/c1-10-2-3-12(11(8-10)9-13)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
    • InChI Key: NLEPTNIELHABDX-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(C)=CC=2C#N)CCNCC1

Computed Properties

  • Exact Mass: 201.126597491g/mol
  • Monoisotopic Mass: 201.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 249
  • 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: 1.5
  • Topological Polar Surface Area: 39.1?2

5-Methyl-2-(piperazin-1-yl)benzonitrile Pricemore >>

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