AC1NQM5J
2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
Also Known As: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol|2-[4-benzo[1,3]dioxol-5-yl-2-(3-bromophenyl)-3,6-dihydro-2H-pyrimidin-6-yl]-6-ethoxy-phenol|4-(2H-1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-6-(3-ethoxy-2-hydroxyphenyl)-1,2,3,6-tetrahydropyrimidin-1-ium
CAS: 6776-44-9
| Molecular Formula | C25H24BrN2O4+ |
|---|---|
| Molecular Weight | 495.09195 g/mol |
| LogP | 4.2297 |
| Topological Polar Surface Area | 76.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.09195 |
| Monoisotopic Mass | 495.09195 |
| Heavy Atoms | 32 |
| Complexity | 1180.3535 |
Chemical Identifiers
| CAS Number | 6776-44-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=CC=C3)Br)C4=CC5=C(C=C4)OCO5 |
Product Overview
AC1NQM5J (CAS 6776-44-9), with molecular formula C25H24BrN2O4+ and molecular weight 495.09195 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol.
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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