4-[(4-aminophenyl)methyl]aniline; benzene-1,4-diamine; 2-(phenoxymethyl)oxirane

Systemtic Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,4-diamine; 2-(phenoxymethyl)oxirane Openeye Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,4-diamine; 2-(phenoxymethyl)oxirane CAS Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,4-diamine; 2-(phenoxymethyl)oxirane IUPAC Name: 4-[(4-aminophenyl)methyl]aniline; benzene-1,4-diamine; 2-(phenoxymethyl)oxirane Traditional Name: [4-(4-aminobenzyl)phenyl]amine; 2-(phenoxymethyl)oxirane; p-phenylenediamine Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC2=CC=CC=C2.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1N)N

Isomeric SMILES

C1C(O1)COC2=CC=CC=C2.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1N)N

InChI

InChI=1S/C13H14N2.C9H10O2.C6H8N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-2-4-8(5-3-1)10-6-9-7-11-9;7-5-1-2-6(8)4-3-5/h1-8H,9,14-15H2;1-5,9H,6-7H2;1-4H,7-8H2