ethanoic acid; 1-phenylethane-1,2-diamine

Systemtic Name: ethanoic acid; 1-phenylethane-1,2-diamine Openeye Name: acetic acid; 1-phenylethane-1,2-diamine CAS Name: acetic acid; 1-phenylethane-1,2-diamine IUPAC Name: acetic acid; 1-phenylethane-1,2-diamine Traditional Name: acetic acid; (2-amino-1-phenyl-ethyl)amine Formula: C16H28N2O8 MolecularWeight: 376.40212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2.4C2H4O2/c9-6-8(10)7-4-2-1-3-5-7;4*1-2(3)4/h1-5,8H,6,9-10H2;4*1H3,(H,3,4)