Cas no 17686-39-4 (Pentyl cyanoacetate)

Pentyl cyanoacetate structure
Pentyl cyanoacetate structure
Product Name:Pentyl cyanoacetate
CAS No:17686-39-4
MF:C8H13NO2
MW:155.194322347641
CID:50843
PubChem ID:87236
Update Time:2025-04-18

Pentyl cyanoacetate Chemical and Physical Properties

Names and Identifiers

    • Pentyl cyanoacetate
    • Pentyl 2-cyanoacetate
    • Cyan-essigsaeure-pentylester
    • Cyanoacetic acid amyl ester
    • Cyanoacetic acid pentyl ester
    • Einecs 241-669-0
    • AKOS022283294
    • NS00054835
    • SCHEMBL2855420
    • DTXSID90938863
    • 17686-39-4
    • Inchi: 1S/C8H13NO2/c1-2-3-4-7-11-8(10)5-6-9/h2-5,7H2,1H3
    • InChI Key: OCJMNSVWIYIHRK-UHFFFAOYSA-N
    • SMILES: O(C(CC#N)=O)CCCCC

Computed Properties

  • Exact Mass: 155.09500
  • Monoisotopic Mass: 155.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 157
  • 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: 50.1A^2
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: Colorless transparent liquid
  • Density: 0.985
  • Boiling Point: 219.7 °C at 760 mmHg
  • Flash Point: 93.1 °C
  • Refractive Index: 1.431
  • PSA: 50.09000
  • LogP: 1.63348

Pentyl cyanoacetate 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%

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