Cas no 660861-70-1 (Isoquinoline, 1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydro-8-methyl-, (1S)-)

Isoquinoline, 1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydro-8-methyl-, (1S)- structure
660861-70-1 structure
Product Name:Isoquinoline, 1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydro-8-methyl-, (1S)-
CAS No:660861-70-1
MF:C18H21N
MW:251.36604475975
CID:1703169
Update Time:2024-08-31

Isoquinoline, 1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydro-8-methyl-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydro-8-methyl-, (1S)-
    • Inchi: 1S/C18H21N/c1-12-6-4-7-13(2)16(12)18-17-14(3)8-5-9-15(17)10-11-19-18/h4-9,18-19H,10-11H2,1-3H3/t18-/m0/s1
    • InChI Key: RMOHGPGPSBIUHU-SFHVURJKSA-N
    • SMILES: [C@H]1(C2=C(C)C=CC=C2C)C2=C(C=CC=C2C)CCN1

Computed Properties

  • Exact Mass: 251.16753

Experimental Properties

  • Density: 1.024±0.06 g/cm3(Predicted)
  • Boiling Point: 390.0±11.0 °C(Predicted)
  • PSA: 12.03
  • pka: 9.02±0.40(Predicted)
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