2,4-dimethylbenzene-1,3-diamine; hexanedioic acid

Systemtic Name: 2,4-dimethylbenzene-1,3-diamine; hexanedioic acid Openeye Name: adipic acid; 2,4-dimethylbenzene-1,3-diamine CAS Name: 2,4-dimethylbenzene-1,3-diamine; hexanedioic acid IUPAC Name: 2,4-dimethylbenzene-1,3-diamine; hexanedioic acid Traditional Name: adipic acid; (3-amino-2,4-dimethyl-phenyl)amine Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)N)C)N.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)N)C)N.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H12N2.C6H10O4/c1-5-3-4-7(9)6(2)8(5)10;7-5(8)3-1-2-4-6(9)10/h3-4H,9-10H2,1-2H3;1-4H2,(H,7,8)(H,9,10)