1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline | CAS No. 486-47-5

1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline

Basic Information

CAS Number

486-47-5

Molecular Formula

C24H29NO4

Molecular Weight

395.5 g/mol

AD

Basic Physical Properties

Melting Point

99-101°

Boiling Point

519.44°C (rough estimate)

Flash Point

185.9°C

Refractive Index

1.6000 (estimate)

CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC

InChI

InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3

InChIKey

ZOWYFYXTIWQBEP-UHFFFAOYSA-N

LogP

5.420400000000006

Topological Polar Surface Area

49.81 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

462

Synonyms & References

English

  • NCGC00016557-03
  • KBioGR_000672
  • AB00053589_04
  • EX-A5513
  • 486-47-5
  • VIC
  • 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline
  • SPBio_001370
  • KBio1_000199
  • NS00004322
  • SPBio_002680
  • 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline
  • UNII-2H2HC19DYZ
  • Barbonine
  • SCHEMBL25606
  • 6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline
  • 5-21-06-00183 (Beilstein Handbook Reference)
  • BSPBio_003130
  • 6,7-Diaethoxy-1-(3,4-diaethoxybenzyl)isochinolin [German]
  • EINECS 207-633-3
  • DTXSID3023009
  • KBio2_006834
  • DivK1c_000199
  • Prestwick0_000830
  • Isoquinolinium, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-
  • BRD-K36756879-003-06-1
  • Ethaverine [INN]
  • Prestwick1_000830
  • ISOQUINOLINE, 1-(3,4-DIETHOXYBENZYL)-6,7-DIETHOXY-
  • Perperine
  • Dyscural

MDL Number

MFCD00221783

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