[3-(aminomethyl)cyclohexyl]methanamine; hexanedioic acid

Systemtic Name: [3-(aminomethyl)cyclohexyl]methanamine; hexanedioic acid Openeye Name: adipic acid; [3-(aminomethyl)cyclohexyl]methanamine CAS Name: [3-(aminomethyl)cyclohexyl]methanamine; hexanedioic acid IUPAC Name: [3-(aminomethyl)cyclohexyl]methanamine; hexanedioic acid Traditional Name: adipic acid; [3-(aminomethyl)cyclohexyl]methylamine Formula: C14H28N2O4 MolecularWeight: 288.38312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CN)CN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1CC(CC(C1)CN)CN.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H18N2.C6H10O4/c9-5-7-2-1-3-8(4-7)6-10;7-5(8)3-1-2-4-6(9)10/h7-8H,1-6,9-10H2;1-4H2,(H,7,8)(H,9,10)