Cas no 54864-89-0 (6-(4-Methylpiperazin-1-yl)nicotinonitrile)

6-(4-Methylpiperazin-1-yl)nicotinonitrile structure
54864-89-0 structure
Product Name:6-(4-Methylpiperazin-1-yl)nicotinonitrile
CAS No:54864-89-0
MF:C11H14N4
MW:202.255661487579
MDL:MFCD01692399
CID:374782
PubChem ID:3042935
Update Time:2025-04-19

6-(4-Methylpiperazin-1-yl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-(4-Methylpiperazin-1-yl)nicotinonitrile
    • 3-Pyridinecarbonitrile,6-(4-methyl-1-piperazinyl)-
    • 2-(4'-methyl-1'-piperazinyl)-5-cyanopyridine
    • 5-Cyano-2-(4-methylpiperazinyl)pyridin
    • 6-(4-Methyl-1-piperazinyl)-3-pyridinecarbonitrile
    • 6-(4-methyl-piperazin-1-yl)-nicotinonitrile
    • AC1MIEDP
    • AC1Q3ZVR
    • BRN 0528079
    • LT 290
    • Nicotinonitrile, 6-(4-methyl-1-piperazinyl)-
    • SBB055660
    • EN300-26156
    • DTXSID90203346
    • MFCD01692399
    • 6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
    • SCHEMBL3592250
    • NCGC00320485-01
    • AB01315888-02
    • Z219095132
    • 3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
    • CS-0215564
    • TS-02881
    • 54864-89-0
    • AKOS000118025
    • DB-359187
    • G30978
    • MDL: MFCD01692399
    • Inchi: 1S/C11H14N4/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11/h2-3,9H,4-7H2,1H3
    • InChI Key: IXWJXGCUFGKQTJ-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(C#N)=CN=2)CCN(C)CC1

Computed Properties

  • Exact Mass: 202.12202
  • Monoisotopic Mass: 202.121846464g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • 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: 0.8
  • Topological Polar Surface Area: 43.2?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 67-69 °C
  • Boiling Point: 371.6±42.0 °C at 760 mmHg
  • Flash Point: 176.7±23.7 °C
  • PSA: 43.16

6-(4-Methylpiperazin-1-yl)nicotinonitrile Security Information

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