Cas no 407623-83-0 (Ethyl isoquinoline-7-carboxylate)

Ethyl isoquinoline-7-carboxylate structure
407623-83-0 structure
Product Name:Ethyl isoquinoline-7-carboxylate
CAS No:407623-83-0
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD18416670
CID:1038278
PubChem ID:22632542
Update Time:2025-04-20

Ethyl isoquinoline-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl isoquinoline-7-carboxylate
    • Ethyl 7-isoquinolinecarboxylate
    • 7-Ethoxycarbonylisoquinoline
    • AK100920
    • SLGGUHTWKIMKSM-UHFFFAOYSA-N
    • 5543AB
    • 7-Isoquinolinecarboxylic acid, ethyl ester
    • Isoquinoline-7-carboxylic acid ethyl ester
    • AX8241827
    • ST24025066
    • AKOS016001744
    • DTXSID60627151
    • 407623-83-0
    • Ethylisoquinoline-7-carboxylate
    • DS-3649
    • SCHEMBL5744947
    • A873236
    • C75065
    • CS-0187424
    • DB-265026
    • MFCD18416670
    • MDL: MFCD18416670
    • Inchi: 1S/C12H11NO2/c1-2-15-12(14)10-4-3-9-5-6-13-8-11(9)7-10/h3-8H,2H2,1H3
    • InChI Key: SLGGUHTWKIMKSM-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC2C=CN=CC=2C=1)=O

Computed Properties

  • Exact Mass: 201.078978594g/mol
  • 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
  • Topological Polar Surface Area: 39.2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.175±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 341.8±15.0°C at 760 mmHg
  • Solubility: Very slightly soluble (0.54 g/l) (25 o C),

Ethyl isoquinoline-7-carboxylate Security Information

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