AC1L8SMJ
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;oxalic acid
Also Known As: NCI5550|NCGC00096182-01|[4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; oxalic acid|4-((4-(dimethyl-5-azanylidene)-2,5-cyclohexadien-1-ylidene)(phenyl)methyl)-N,N-dimethylaniline diethanedioate
CAS: 4366-31-8
| Molecular Formula | C27H29N2O8+ |
|---|---|
| Molecular Weight | 509.19238 g/mol |
| LogP | 2.7048 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.19238 |
| Monoisotopic Mass | 509.19238 |
| Heavy Atoms | 37 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 4366-31-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | ISCIXAIEDTZJCQ-UHFFFAOYSA-N |
Product Overview
AC1L8SMJ (CAS 4366-31-8), with molecular formula C27H29N2O8+ and molecular weight 509.19238 g/mol. IUPAC: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;oxalic 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.
View MSDS →
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