ethanedioic acid; N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline; hydrate

Systemtic Name: ethanedioic acid; N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline; hydrate Openeye Name: N-[2-(3-ethylhexahydropyrimidin-1-yl)ethyl]aniline; oxalic acid; hydrate CAS Name: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid; hydrate IUPAC Name: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid; hydrate Traditional Name: 2-(3-ethylhexahydropyrimidin-1-yl)ethyl-phenyl-amine; oxalic acid; hydrate Formula: C16H27N3O5 MolecularWeight: 341.40268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C14H23N3.C2H2O4.H2O/c1-2-16-10-6-11-17(13-16)12-9-15-14-7-4-3-5-8-14;3-1(4)2(5)6;/h3-5,7-8,15H,2,6,9-13H2,1H3;(H,3,4)(H,5,6);1H2