N,N-diethylethanamine; ethanenitrile; pyridine; hydrate

Systemtic Name: N,N-diethylethanamine; ethanenitrile; pyridine; hydrate Openeye Name: acetonitrile; N,N-diethylethanamine; pyridine; hydrate CAS Name: acetonitrile; N,N-diethylethanamine; pyridine; hydrate IUPAC Name: acetonitrile; N,N-diethylethanamine; pyridine; hydrate Traditional Name: acetonitrile; pyridine; triethylamine; hydrate Formula: C13H25N3O MolecularWeight: 239.3571

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC#N.C1=CC=NC=C1.O

Isomeric SMILES

CCN(CC)CC.CC#N.C1=CC=NC=C1.O

InChI

InChI=1S/C6H15N.C5H5N.C2H3N.H2O/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2-3;/h4-6H2,1-3H3;1-5H;1H3;1H2