CTK2I0439
but-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Also Known As: But-2-enedioic acid--2-methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine (1/1)|(+)-1,2,3,4,4a,9-Hexahydro-2-methyldibenzo(c,f)pyrimido(1,6-a)azepine fumarate
CAS: 76134-84-4
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.1736 g/mol |
| LogP | 3.1433 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.1736 |
| Monoisotopic Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 877.6104 |
Chemical Identifiers
| CAS Number | 76134-84-4 |
|---|---|
| SMILES | CN1CCC2C3=CC=CC=C3CC4=CC=CC=C4N2C1.C(=CC(=O)O)C(=O)O |
Product Overview
CTK2I0439 (CAS 76134-84-4), with molecular formula C22H24N2O4 and molecular weight 380.1736 g/mol. IUPAC: but-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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