Cas no 53783-89-4 (3-methylhexanenitrile)

3-methylhexanenitrile structure
3-methylhexanenitrile structure
Product Name:3-methylhexanenitrile
CAS No:53783-89-4
MF:C7H13N
MW:111.184821844101
CID:356361
PubChem ID:543329
Update Time:2025-04-19

3-methylhexanenitrile Chemical and Physical Properties

Names and Identifiers

    • Hexanenitrile, 3-methyl-
    • 3-METHYLHEXANENITRILE
    • 1-cyano-2-methylpentane
    • 3-Methyl-1-cyan-pentan
    • 3-methyl-hexanenitrile
    • 3-Methyl-hexannitril
    • 3-methylhexanonitrile
    • Hexanenitrile,3-methyl
    • SCHEMBL1315582
    • AKOS011549458
    • l-3-Methylhexanenitrile
    • DTXSID40337544
    • JDVUMGUHKLDEQL-UHFFFAOYSA-N
    • 3-Methylhexanenitrile #
    • 53783-89-4
    • EN300-1854409
    • 3-methylhexanenitrile
    • Inchi: 1S/C7H13N/c1-3-4-7(2)5-6-8/h7H,3-5H2,1-2H3
    • InChI Key: JDVUMGUHKLDEQL-UHFFFAOYSA-N
    • SMILES: N#CCC(C)CCC

Computed Properties

  • Exact Mass: 111.10500
  • Monoisotopic Mass: 111.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 87.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 2.33628

3-methylhexanenitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-methylhexanenitrile Pricemore >>

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