Cas no 129724-55-6 (6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)-)

6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)- structure
129724-55-6 structure
Product Name:6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)-
CAS No:129724-55-6
MF:C19H23NO3
MW:313.390825510025
CID:178464
Update Time:2024-03-01

6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • 6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)-
    • (+)-Colchiethanamine
    • 6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (S)-
    • Colchiethanamine
    • 6-Isoquinolinol, 1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)-
    • Inchi： 1S/C19H23NO3/c1-20-10-9-14-11-18(22)19(23-2)12-16(14)17(20)8-5-13-3-6-15(21)7-4-13/h3-4,6-7,11-12,17,21-22H,5,8-10H2,1-2H3/t17-/m0/s1
    • InChI Key： IVZAZZKOQHAJCF-KRWDZBQOSA-N
    • SMILES： [C@H]1(CCC2=CC=C(O)C=C2)C2=C(C=C(O)C(OC)=C2)CCN1C

Computed Properties

  • Exact Mass: 313.16789
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • XLogP3: 1.422

Experimental Properties

  • Density: 1.176±0.06 g/cm3(Predicted)
  • Boiling Point: 492.0±45.0 °C(Predicted)
  • PSA: 52.93
  • pka: 9.96±0.40(Predicted)

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Related Categories

129724-55-6 (6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-methyl-, (1S)-) Related Products

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