Cas no 111509-11-6 (6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)-)

6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)- structure
111509-11-6 structure
Product Name:6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)-
CAS No:111509-11-6
MF:C21H27NO5
MW:373.442786455154
CID:179839
PubChem ID:183312
Update Time:2025-04-19

6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)- Chemical and Physical Properties

Names and Identifiers

    • 6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)-
    • (1R)-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
    • 6-Isoquinolinol, 1,2,3,4-tetrahydro-1-(2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl)-7-methoxy-2-methyl-, (1R)-
    • 6-Isoquinolinol, 1,2,3,4-tetrahydro-1-(2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl)-7-methoxy-2-methyl-, (R)-
    • Isoautumnaline, (-)-
    • DTXSID70149677
    • 111509-11-6
    • (-)-Isoautumnaline
    • Isoautumnaline
    • Inchi： 1S/C21H27NO5/c1-22-8-7-14-11-17(23)19(25-2)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m1/s1
    • InChI Key： GFNRNKOPJMPASU-MRXNPFEDSA-N
    • SMILES： O(C)C1C(=CC2CCN(C)[C@H](CCC3C=C(C(=C(C=3)OC)OC)O)C=2C=1)O

Computed Properties

  • Exact Mass: 373.18901
  • Monoisotopic Mass: 373.189
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 464
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • Density: 1.187
  • Boiling Point: 542.4°Cat760mmHg
  • Flash Point: 281.8°C
  • Refractive Index: 1.577
  • PSA: 71.39
  • LogP: 3.22330

6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)- Related Literature

Related Categories

111509-11-6 (6-Isoquinolinol,1,2,3,4-tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-7-methoxy-2-methyl-,(1R)-) Related Products

Recommended suppliers
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD