ethanedioic acid; 2-methyl-4-phenyl-butane-1,2-diamine

Systemtic Name: ethanedioic acid; 2-methyl-4-phenyl-butane-1,2-diamine Openeye Name: 2-methyl-4-phenyl-butane-1,2-diamine; oxalic acid CAS Name: 2-methyl-4-phenylbutane-1,2-diamine; oxalic acid IUPAC Name: 2-methyl-4-phenylbutane-1,2-diamine; oxalic acid Traditional Name: [1-(aminomethyl)-1-methyl-3-phenyl-propyl]amine; oxalic acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(CN)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)(CN)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H18N2.C2H2O4/c1-11(13,9-12)8-7-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6H,7-9,12-13H2,1H3;(H,3,4)(H,5,6)