[3-(aminomethyl)phenyl]methanamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine

Systemtic Name: [3-(aminomethyl)phenyl]methanamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine Openeye Name: [3-(aminomethyl)phenyl]methanamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine CAS Name: [3-(aminomethyl)phenyl]methanamine; benzene-1,3-dicarboxylic acid diphenyl ester; hexane-1,6-diamine IUPAC Name: [3-(aminomethyl)phenyl]methanamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine Traditional Name: 6-aminohexylamine; [3-(aminomethyl)benzyl]amine; benzene-1,3-dicarboxylic acid diphenyl ester Formula: C34H42N4O4 MolecularWeight: 570.72168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3.C1=CC(=CC(=C1)CN)CN.C(CCCN)CCN

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3.C1=CC(=CC(=C1)CN)CN.C(CCCN)CCN

InChI

InChI=1S/C20H14O4.C8H12N2.C6H16N2/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18;9-5-7-2-1-3-8(4-7)6-10;7-5-3-1-2-4-6-8/h1-14H;1-4H,5-6,9-10H2;1-8H2