Cas no 37009-16-8 (5,6,7,8-tetrahydro-3-methyl-1(2H)-Isoquinolinone)

5,6,7,8-tetrahydro-3-methyl-1(2H)-Isoquinolinone structure
37009-16-8 structure
Product Name:5,6,7,8-tetrahydro-3-methyl-1(2H)-Isoquinolinone
CAS No:37009-16-8
MF:C10H13NO
MW:163.216322660446
CID:1111609
Update Time:2024-07-24

5,6,7,8-tetrahydro-3-methyl-1(2H)-Isoquinolinone Chemical and Physical Properties

Names and Identifiers

    • 5,6,7,8-tetrahydro-3-methyl-1(2H)-Isoquinolinone
    • 3-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
    • 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3-methyl-
    • Inchi: 1S/C10H13NO/c1-7-6-8-4-2-3-5-9(8)10(12)11-7/h6H,2-5H2,1H3,(H,11,12)
    • InChI Key: ADTRIYZACNISHW-UHFFFAOYSA-N
    • SMILES: C1(=O)C2=C(CCCC2)C=C(C)N1

Computed Properties

  • Exact Mass: 163.09979

Experimental Properties

  • Density: 1.10±0.1 g/cm3(Predicted)
  • Melting Point: 217 °C(Solv: 1,4-dioxane (123-91-1))
  • Boiling Point: 397.5±15.0 °C(Predicted)
  • PSA: 29.1
  • pka: 13.19±0.40(Predicted)

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