Ismine

CAS Registry Number®

1805-78-3

CAS Name

Ismine

Molecular Formula

C15H15NO3

Molecular Mass

257.28

Cite this Page

Ismine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1805-78-3 (retrieved 2024-11-24) (CAS RN: 1805-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97-98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3

InChIKey

InChIKey=GSEKYIWUAPZIEF-UHFFFAOYSA-N

SMILES

C(O)C1=C(C=C2C(=C1)OCO2)C3=C(NC)C=CC=C3

Canonical SMILES

OCC=1C=C2OCOC2=CC1C=3C=CC=CC3NC

Other Names for this Substance

  • 1,3-Benzodioxole-5-methanol, 6-[2-(methylamino)phenyl]-
  • 2-Biphenylmethanol, 2′-(methylamino)-4,5-(methylenedioxy)-
  • 6-[2-(Methylamino)phenyl]-1,3-benzodioxole-5-methanol
  • Ismine
  • Ismin

CAS INSIGHTSTM
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