Cas no 288251-82-1 (5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile)

5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile is a heterocyclic organic compound featuring a benzonitrile core substituted with an amino group and a 4-methylpiperazine moiety. This structure imparts versatility in pharmaceutical and agrochemical applications, particularly as an intermediate in the synthesis of biologically active molecules. The presence of both electron-donating (amino) and electron-withdrawing (nitrile) groups enhances its reactivity, enabling selective functionalization. The 4-methylpiperazine substituent contributes to improved solubility and bioavailability, making it valuable in drug discovery. Its well-defined synthetic pathway and stability under standard conditions ensure consistent performance in research and industrial processes. This compound is particularly useful in the development of kinase inhibitors and other therapeutic agents.
5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile structure
288251-82-1 structure
Product Name:5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile
CAS No:288251-82-1
MF:C12H16N4
MW:216.282241821289
MDL:MFCD11852581
CID:1027584
PubChem ID:17609581
Update Time:2025-05-28

5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile
    • 5-amino-2-(4-methyl-piperazin-1-yl)-benzonitrile
    • 5-amino-2-(4-methylpiperazin-l-yl)benzonitrile
    • 5-AMINO-2-(4-METHYLPIPERAZINO)BENZONITRILE
    • AKOS005171436
    • A876606
    • DTXSID30589878
    • DB-332835
    • SCHEMBL5654064
    • 288251-82-1
    • Benzonitrile, 5-amino-2-(4-methyl-1-piperazinyl)-
    • STK360706
    • CS-W022285
    • DS-2226
    • LAPZOCNBYMFZKO-UHFFFAOYSA-N
    • MFCD11852581
    • ALBB-004936
    • MDL: MFCD11852581
    • Inchi: 1S/C12H16N4/c1-15-4-6-16(7-5-15)12-3-2-11(14)8-10(12)9-13/h2-3,8H,4-7,14H2,1H3
    • InChI Key: LAPZOCNBYMFZKO-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(=CC=2C#N)N)CCN(C)CC1

Computed Properties

  • Exact Mass: 216.13700
  • Monoisotopic Mass: 216.137496527g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 274
  • 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: 0.9
  • Topological Polar Surface Area: 56.3?2

Experimental Properties

  • PSA: 56.29000
  • LogP: 1.47638

5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile Security Information

  • HazardClass:IRRITANT

5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile Pricemore >>

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5-Amino-2-(4-methylpiperazin-1-yl)benzonitrile Production Method

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