Cas no 5448-16-8 (2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate)

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate structure
5448-16-8 structure
Product Name:2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
CAS No:5448-16-8
MF:C11H15NO4
MW:225.241103410721
MDL:MFCD00030385
CID:386678
PubChem ID:226731
Update Time:2025-04-19

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
    • 1H-Pyrrole-2,4-dicarboxylicacid, 3-methyl-, 2,4-diethyl ester
    • 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER
    • 3-Methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
    • 2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
    • NSC17445
    • 2,4-dicarbethoxy-3 methylpyrrole
    • KJPYNVNXXUELAB-UHFFFAOYSA-N
    • 2, 4-dicarbethoxy-3 methylpyrrole
    • 7880AB
    • PB14091
    • SC-
    • AS-37816
    • AC-25053
    • SCHEMBL1752519
    • SY014678
    • A7915
    • AKOS015898824
    • diethyl3-methyl-1H-pyrrole-2,4-dicarboxylate
    • Diethyl 3-methylpyrrole-2,4-dicarboxylate
    • DTXSID20280569
    • C11H15NO4
    • 5448-16-8
    • CS-M1178
    • MFCD00030385
    • NSC-17445
    • FT-0635722
    • DB-052587
    • MDL: MFCD00030385
    • Inchi: 1S/C11H15NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h6,12H,4-5H2,1-3H3
    • InChI Key: KJPYNVNXXUELAB-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)C(C(=O)OCC)=CN1)=O

Computed Properties

  • Exact Mass: 225.10000
  • Monoisotopic Mass: 225.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 267
  • 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: 68.4
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.168
  • Boiling Point: 364.712℃ at 760 mmHg
  • Flash Point: 174.4°C
  • Refractive Index: 1.516
  • PSA: 68.39000
  • LogP: 1.67650

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Security Information

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Pricemore >>

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