compound introduction
9,10-二甲氧基-3-甲基-2-(2,4,6-三甲基苯基)亚氨基-6,7-二氢吡啶并[6,1-a]异喹啉-4-酮是一种吡啶并嘧啶。
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Daily chemical industry
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CAS number：79855-88-2 molecular formula：C24H27N3O3
overview
Specs
| Chinese alias | - | ||
| English alias | - | ||
| CAS number | 79855-88-2 | molecular formula | C24H27N3O3 |
| molecular weight | 405.5 | Exact mass | - |
| PSA | 54.4 | logp | 3.9 |
numbering system
| CAS | 79855-88-2 |
| UNII | 739I2958C1 |
| HMDB ID | HMDB0259121 |
| ChEBI ID | 93477 |
| Wikidata | Q15634083 |
| ChEMBL ID | CHEMBL588593 |
| Wikipedia | Trequinsin |
| PubChem CID | 5537 |
| Related CAS | 78416-81-6 (盐酸盐) |
| Nikkaji Number | J32.513I |
| NCI 词表代码 | C152731 |
| DSSTox Substance ID | DTXSID50861007 |
| Metabolomics Workbench ID | 144370 |
| PubChem Reference Collection SID | 500834185 |
| International Nonproprietary Names (INN) | TREQUINSIN |
physicochemical properties
| XLogP3 | XLogP3-AA: 3.9 |
| 复杂性 | 708 |
| Exact Mass | 405.20524173 |
| 形式电荷 | 0 |
| 重原子计数 | 30 |
| Molecular Weight | 405.5 |
| Monoisotopic Mass | 405.20524173 |
| 可旋转键计数 | 3 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 4 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 54.4 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
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Production methods and uses
purpose
工业应用参考：
工业分类参考：食品制造业。
应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考：在科研材料体系中具备较强的组合应用潜力，价值往往取决于具体配方、纯度等级和工艺设计 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
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MSDS
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