Cas no 6451-67-8 (Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)-)

Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)- structure
6451-67-8 structure
Product Name:Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)-
CAS No:6451-67-8
MF:C20H21NO4
MW:339.38504576683
CID:509602
PubChem ID:442222
Update Time:2025-04-19

Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)- Chemical and Physical Properties

Names and Identifiers

    • Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)-
    • Benzo(5,6)cycloocta(1,2-f)-1,3-benzodioxol-5,11-imine, 5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S)-
    • (5S,11S)-8,9-dimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
    • CHEBI:4850
    • C09426
    • NS00094108
    • (5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine
    • Eschscholtzidine
    • 8,9-Dimethoxy-14-methyl-5,6,11,12-tetrahydro-2H-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
    • SCHEMBL14886118
    • CHEMBL1621815
    • Q27106505
    • (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
    • DTXSID30983079
    • 6451-67-8
    • O-Methylcaryachine
    • (+)-O-Methylcaryachine
    • (+)-Eschscholtzidine
    • Inchi： 1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m1/s1
    • InChI Key： YTZIQRTXKBDFKM-HZPDHXFCSA-N
    • SMILES： O1COC2C1=CC1=C(C=2)C[C@@H]2C3C=C(C(=CC=3C[C@H]1N2C)OC)OC

Computed Properties

  • Exact Mass: 339.14705815g/mol
  • Monoisotopic Mass: 339.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 502
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 40.2?2

Experimental Properties

  • Density: 1.254
  • Boiling Point: 435.7°Cat760mmHg
  • Flash Point: 126.3°C
  • Refractive Index: 1.607

Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)- Related Literature

Related Categories

6451-67-8 (Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine,5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)-) Related Products

Recommended suppliers
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd