N,N-diethylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine hydrate

Systemtic Name: N,N-diethylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine hydrate Openeye Name: N,N-diethylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine hydrate CAS Name: N,N-diethyl-7-bicyclo[2.2.1]hepta-1,3,5-trienamine hydrate IUPAC Name: N,N-diethylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine hydrate Traditional Name: 7-bicyclo[2.2.1]hepta-1,3,5-trienyl(diethyl)amine hydrate Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C2=CC=C1C=C2.O

Isomeric SMILES

CCN(CC)C1C2=CC=C1C=C2.O

InChI

InChI=1S/C11H15N.H2O/c1-3-12(4-2)11-9-5-6-10(11)8-7-9;/h5-8,11H,3-4H2,1-2H3;1H2