hexanedioic acid; 1-methylcyclohexane-1,3-diamine

Systemtic Name: hexanedioic acid; 1-methylcyclohexane-1,3-diamine Openeye Name: adipic acid; 1-methylcyclohexane-1,3-diamine CAS Name: hexanedioic acid; 1-methylcyclohexane-1,3-diamine IUPAC Name: hexanedioic acid; 1-methylcyclohexane-1,3-diamine Traditional Name: adipic acid; (3-amino-1-methyl-cyclohexyl)amine Formula: C13H26N2O4 MolecularWeight: 274.35654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16N2.C6H10O4/c1-7(9)4-2-3-6(8)5-7;7-5(8)3-1-2-4-6(9)10/h6H,2-5,8-9H2,1H3;1-4H2,(H,7,8)(H,9,10)