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

Systemtic Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline; ethanedioic acid; hydrate Openeye Name: N-[2-(3-butylhexahydropyrimidin-1-yl)ethyl]aniline; oxalic acid; hydrate CAS Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid; hydrate IUPAC Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid; hydrate Traditional Name: 2-(3-butylhexahydropyrimidin-1-yl)ethyl-phenyl-amine; oxalic acid; hydrate Formula: C18H31N3O5 MolecularWeight: 369.45584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C16H27N3.C2H2O4.H2O/c1-2-3-11-18-12-7-13-19(15-18)14-10-17-16-8-5-4-6-9-16;3-1(4)2(5)6;/h4-6,8-9,17H,2-3,7,10-15H2,1H3;(H,3,4)(H,5,6);1H2