1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1)

CAS Registry Number®

1177284-80-8
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CAS Name

1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1)

Molecular Formula

C14H21N.C2H2O4

Cite this Page

1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1177284-80-8 (retrieved 2024-08-06) (CAS RN: 1177284-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H21N.C2H2O4/c1-11-7-8-13(12(2)10-11)14-6-4-3-5-9-15-14;3-1(4)2(5)6/h7-8,10,14-15H,3-6,9H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

InChIKey=RRJYKLMHXFRNGP-UHFFFAOYSA-N

SMILES

CC1=C(C2CCCCCN2)C=CC(C)=C1.C(C(O)=O)(O)=O

Canonical SMILES

O=C(O)C(=O)O.C=1C=C(C(=CC1C)C)C2NCCCCC2

Other Names for this Substance

  • 1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1)