3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1)

CAS Registry Number®

1332530-96-7
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CAS Name

3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1)

Molecular Formula

C14H23N3O2S.C2H2O4

Cite this Page

3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1332530-96-7 (retrieved 2024-09-07) (CAS RN: 1332530-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H23N3O2S.C2H2O4/c18-20(19,17-9-3-1-2-4-10-17)11-8-16-13-14-6-5-7-15-12-14;3-1(4)2(5)6/h5-7,12,16H,1-4,8-11,13H2;(H,3,4)(H,5,6)

InChIKey

InChIKey=RDLLUNSXJNLNPF-UHFFFAOYSA-N

SMILES

S(CCNCC=1C=CC=NC1)(=O)(=O)N2CCCCCC2.C(C(O)=O)(O)=O

Canonical SMILES

O=C(O)C(=O)O.O=S(=O)(N1CCCCCC1)CCNCC=2C=NC=CC2

Other Names for this Substance

  • 3-Pyridinemethanamine, N-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]ethyl]-, ethanedioate (1:1)