3-[4,6-bis(azanyl)hexyl]benzoic acid hydrochloride

Systemtic Name: 3-[4,6-bis(azanyl)hexyl]benzoic acid hydrochloride Openeye Name: 3-(4,6-diaminohexyl)benzoic acid hydrochloride CAS Name: 3-(4,6-diaminohexyl)benzoic acid hydrochloride IUPAC Name: 3-(4,6-diaminohexyl)benzoic acid hydrochloride Traditional Name: 3-(4,6-diaminohexyl)benzoic acid hydrochloride Formula: C13H21ClN2O2 MolecularWeight: 272.77104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCCC(CCN)N)C(=O)O.Cl

Isomeric SMILES

C1=CC(=CC(=C1)CCCC(CCN)N)C(=O)O.Cl

InChI

InChI=1S/C13H20N2O2.ClH/c14-8-7-12(15)6-2-4-10-3-1-5-11(9-10)13(16)17;/h1,3,5,9,12H,2,4,6-8,14-15H2,(H,16,17);1H