1H-Indole-3-ethanamine, 5-bromo-7-ethyl-2-methyl-, ethanedioate (1:1)

CAS Registry Number®

1177279-51-4

CAS Name

1H-Indole-3-ethanamine, 5-bromo-7-ethyl-2-methyl-, ethanedioate (1:1)

Molecular Formula

C13H17BrN2.C2H2O4

Cite this Page

1H-Indole-3-ethanamine, 5-bromo-7-ethyl-2-methyl-, ethanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1177279-51-4 (retrieved 2024-09-27) (CAS RN: 1177279-51-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17BrN2.C2H2O4/c1-3-9-6-10(14)7-12-11(4-5-15)8(2)16-13(9)12;3-1(4)2(5)6/h6-7,16H,3-5,15H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

InChIKey=REHDZJXSZOECQM-UHFFFAOYSA-N

SMILES

C(C)C1=C2C(C(CCN)=C(C)N2)=CC(Br)=C1.C(C(O)=O)(O)=O

Canonical SMILES

O=C(O)C(=O)O.BrC1=CC2=C(NC(=C2CCN)C)C(=C1)CC

Other Names for this Substance

  • 1H-Indole-3-ethanamine, 5-bromo-7-ethyl-2-methyl-, ethanedioate (1:1)