RefChem:1053406
(11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone;3-phenylbenzene-1,2-disulfonic acid
Also Known As: 1,5,9-Triazabicyclo(7.4.4)heptadeca-11,15-diene-10,13,14,17-tetrone, 5-methyl-, (Z,Z)-, (1,1'-biphenyl)-ar,ar'-disulfonate|(11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid
CAS: 39723-63-2
| Molecular Formula | C27H29N3O10S2 |
|---|---|
| Molecular Weight | 619.12946 g/mol |
| LogP | 1.3954 |
| Topological Polar Surface Area | 186.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 619.12946 |
| Monoisotopic Mass | 619.12946 |
| Heavy Atoms | 42 |
| Complexity | 1551.1077 |
Chemical Identifiers
| CAS Number | 39723-63-2 |
|---|---|
| SMILES | CN1CCCN2C(=O)/C=C\C(=O)N(C(=O)/C=C\C2=O)CCC1.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
RefChem:1053406 (CAS 39723-63-2), with molecular formula C27H29N3O10S2 and molecular weight 619.12946 g/mol. IUPAC: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone;3-phenylbenzene-1,2-disulfonic acid.
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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