4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1)
CAS Registry Number®
1235439-20-9
CAS Name
4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1)Molecular Formula
C12H17N3O2.ClHCite this Page
4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1235439-20-9 (retrieved ) (CAS RN: 1235439-20-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H17N3O2.ClH/c1-17-12(16)10-3-5-14-11(9-10)15-7-2-4-13-6-8-15;/h3,5,9,13H,2,4,6-8H2,1H3;1H
InChIKey
InChIKey=BSROCTMOVKNUFL-UHFFFAOYSA-N
SMILES
C(OC)(=O)C=1C=C(N=CC1)N2CCCNCC2.Cl
Canonical SMILES
Cl.O=C(OC)C=1C=CN=C(C1)N2CCNCCC2
Other Names for this Substance
- 4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1)