1-phenylbutane-1,3-dione; propane-1,2-diamine

Systemtic Name: 1-phenylbutane-1,3-dione; propane-1,2-diamine Openeye Name: 1-phenylbutane-1,3-dione; propane-1,2-diamine CAS Name: 1-phenylbutane-1,3-dione; propane-1,2-diamine IUPAC Name: 1-phenylbutane-1,3-dione; propane-1,2-diamine Traditional Name: (2-amino-1-methyl-ethyl)amine; 1-phenylbutane-1,3-dione Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O2.C3H10N2/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-3(5)2-4/h2*2-6H,7H2,1H3;3H,2,4-5H2,1H3