Cas no 50741-47-4 (Ethyl isoquinoline-4-carboxylate)

Ethyl isoquinoline-4-carboxylate structure
50741-47-4 structure
Product Name:Ethyl isoquinoline-4-carboxylate
CAS No:50741-47-4
MF:C12H11NO2
MW:201.221243143082
CID:934197
PubChem ID:12469513
Update Time:2025-04-19

Ethyl isoquinoline-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl isoquinoline-4-carboxylate
    • 4-isoquinolinecarboxylic acid, ethyl ester
    • Ethyl 4-isoquinolinecarboxylate
    • 4-ethoxycarbonylisoquinoline
    • Isochinolin-4-carbonsaeure-aethylester
    • isoquinoline-4-carboxylic acid ethyl ester
    • Ethylisoquinoline-4-carboxylate
    • SCHEMBL6222554
    • HCDIGYUDSWUAFZ-UHFFFAOYSA-N
    • DTXSID20499497
    • 50741-47-4
    • 4-Isoquinolinecarboxylic acid,ethyl ester
    • AKOS005216213
    • isoquinoline4-carboxylic acid ethyl ester
    • MDL： MFCD08669519
    • Inchi： 1S/C12H11NO2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3
    • InChI Key： HCDIGYUDSWUAFZ-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=CN=CC2C=CC=CC=21)=O

Computed Properties

  • Exact Mass: 201.07900
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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: 2.3
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.175±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 49 oC
  • Solubility: Very slightly soluble (0.54 g/l) (25 o C),
  • PSA: 39.19000
  • LogP: 2.41150

Ethyl isoquinoline-4-carboxylate Customs Data

  • HS CODE：2933499090
  • Customs Data：

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl isoquinoline-4-carboxylate Pricemore >>

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