Isoquinoline, 6,7-dimethoxy-1-methyl-, 2-oxide

CAS Registry Number®

96562-85-5

CAS Name

Isoquinoline, 6,7-dimethoxy-1-methyl-, 2-oxide

Molecular Formula

C12H13NO3

Molecular Mass

219.24

Cite this Page

Isoquinoline, 6,7-dimethoxy-1-methyl-, 2-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96562-85-5 (retrieved 2025-02-02) (CAS RN: 96562-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3

InChIKey

InChIKey=GVQWAJKTFATJEW-UHFFFAOYSA-N

SMILES

CC=1C2=C(C=C(OC)C(OC)=C2)C=CN1=O

Canonical SMILES

O=N1=CC=C2C=C(OC)C(OC)=CC2=C1C

Other Names for this Substance

  • Isoquinoline, 6,7-dimethoxy-1-methyl-, 2-oxide
  • Nigellimine N-oxide
  • Nigellicimine N-oxide