Cas no 3228-31-7 (2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester)

2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester structure
3228-31-7 structure
Product Name:2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester
CAS No:3228-31-7
MF:C15H23NO6
MW:313.34622502327
CID:319429
PubChem ID:252154
Update Time:2025-04-19

2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester
    • triethyl 4-cyano-1-methylbutane-1,2,2-tricarboxylate
    • 5-cyano-pentane-2,3,3-tricarboxylic acid triethyl ester
    • 5-Cyan-pentan-2,3,3-tricarbonsaeure-triaethylester
    • Triethyl 5-cyano-2,3,3-pentanetricarboxylate
    • NSC 73487
    • 2,3,3-Triethyl 5-cyano-2,3,3-pentanetricarboxylate
    • NSC73487
    • triethyl 4-cyano-1-methyl-butane-1,2,2-tricarboxylate
    • NSC-73487
    • Triethyl 1-cyano-3,3,4-pentanetricarboxylate
    • 3228-31-7
    • SIMLAXQBSRSEKJ-UHFFFAOYSA-N
    • DTXSID101228711
    • AKOS024332316
    • 5-Cyano-2,3,3-pentanetricarboxylic acid, triethyl ester
    • Inchi： 1S/C15H23NO6/c1-5-20-12(17)11(4)15(9-8-10-16,13(18)21-6-2)14(19)22-7-3/h11H,5-9H2,1-4H3
    • InChI Key： SIMLAXQBSRSEKJ-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C(=O)OCC)(CCC#N)C(C(=O)OCC)C)=O

Computed Properties

  • Exact Mass: 313.15300
  • Monoisotopic Mass: 313.15253745g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 12
  • Complexity: 432
  • 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: 1.5
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • PSA: 102.69000
  • LogP: 1.60198

2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester 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%

2,3,3-Pentanetricarboxylicacid, 5-cyano-, 2,3,3-triethyl ester Related Literature

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