4-azanylbenzoic acid; N-tert-butyloctan-2-amine; hydrochloride

Systemtic Name: 4-azanylbenzoic acid; N-tert-butyloctan-2-amine; hydrochloride Openeye Name: 4-aminobenzoic acid; N-tert-butyloctan-2-amine; hydrochloride CAS Name: 4-aminobenzoic acid; N-tert-butyl-2-octanamine; hydrochloride IUPAC Name: 4-aminobenzoic acid; N-tert-butyloctan-2-amine; hydrochloride Traditional Name: 4-aminobenzoic acid; tert-butyl(1-methylheptyl)amine; hydrochloride Formula: C19H35ClN2O2 MolecularWeight: 358.9464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(C)(C)C.C1=CC(=CC=C1C(=O)O)N.Cl

Isomeric SMILES

CCCCCCC(C)NC(C)(C)C.C1=CC(=CC=C1C(=O)O)N.Cl

InChI

InChI=1S/C12H27N.C7H7NO2.ClH/c1-6-7-8-9-10-11(2)13-12(3,4)5;8-6-3-1-5(2-4-6)7(9)10;/h11,13H,6-10H2,1-5H3;1-4H,8H2,(H,9,10);1H