[2-(aminomethyl)phenyl]methanamine; hexanedioic acid

Systemtic Name: [2-(aminomethyl)phenyl]methanamine; hexanedioic acid Openeye Name: adipic acid; [2-(aminomethyl)phenyl]methanamine CAS Name: [2-(aminomethyl)phenyl]methanamine; hexanedioic acid IUPAC Name: [2-(aminomethyl)phenyl]methanamine; hexanedioic acid Traditional Name: adipic acid; [2-(aminomethyl)benzyl]amine Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2.C6H10O4/c9-5-7-3-1-2-4-8(7)6-10;7-5(8)3-1-2-4-6(9)10/h1-4H,5-6,9-10H2;1-4H2,(H,7,8)(H,9,10)