AC1L96ZI
trimethyl-[2-(7-methyl-1,3-dioxo-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindol-2-yl)ethyl]azanium
Also Known As: NCIOpen2_007487|trimethyl-[2-[methyl(dioxo)[?]yl]ethyl]ammonium|N,N,N-Trimethyl-2-(4-methyl-1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)ethanaminium
CAS: 6945-27-3
| Molecular Formula | C14H23N2O3+ |
|---|---|
| Molecular Weight | 267.17087 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.17087 |
| Monoisotopic Mass | 267.17087 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 6945-27-3 |
|---|---|
| SMILES | CC12CCC(O1)C3C2C(=O)N(C3=O)CC[N+](C)(C)C |
| InChIKey | HXBYQMUTHCZPDW-UHFFFAOYSA-N |
Product Overview
AC1L96ZI (CAS 6945-27-3), with molecular formula C14H23N2O3+ and molecular weight 267.17087 g/mol. IUPAC: trimethyl-[2-(7-methyl-1,3-dioxo-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindol-2-yl)ethyl]azanium.
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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