dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate (CAS 94006-08-3) — formula C25H37NO8, molecular weight 479.6; category organic chemicals.
| CAS Number | 94006-08-3 |
|---|---|
| Molecular Formula | C25H37NO8 |
| Molecular Weight | 479.6 |
| LogP | 3.4 |
| Category | Organic Chemicals |
dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate is a carbon-based organic compound with CAS registry number 94006-08-3 and molecular formula C25H37NO8 (molecular weight 479.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94006-08-3
Its molecular formula C25H37NO8 comprises 25 C, 37 H, 1 N, 8 O atoms.
Also known as: dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate · [[1-(2-乙氧基-2-氧代乙基)-3,4-二氢-6,7-二甲氧基-2(1H)-异喹啉基]甲基](2-甲基丙基)丙二酸二甲酯
Category: organic chemicals
The CAS registry number of dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate is 94006-08-3.
Molecular formula C25H37NO8, molecular weight 479.6.
It is also registered under: dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate, [[1-(2-乙氧基-2-氧代乙基)-3,4-二氢-6,7-二甲氧基-2(1H)-异喹啉基]甲基](2-甲基丙基)丙二酸二甲酯.
Category: Organic Chemicals.
Independent reference data for dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate (CAS 94006-08-3), compiled from public chemistry databases.
| CAS 号 | 94006-08-3 |
|---|---|
| PubChem CID | 44151280 |
| 分子式 | C25H37NO8 |
| IUPAC 名称 | dimethyl 2-[[1-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(2-methylpropyl)propanedioate |
| UNII（FDA） | NS00062611 |
| Molecular Weight | 479.6 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 479.25191714 |
| Monoisotopic Mass | 479.25191714 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 34 |
94006-08-3; Dimethyl 2-((1-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-isobutylmalonate; EINECS 301-344-7; SCHEMBL9938993; DTXSID10916704; WTGSJCREXITWMD-UHFFFAOYSA-N; NS00062611
[[1-(2-乙氧基-2-氧代乙基)-3,4-二氢-6,7-二甲氧基-2(1H)-异喹啉基]甲基](2-甲基丙基)丙二酸二甲酯 · CAS 94006-08-3 · C25H37NO8. UNII NS00062611.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [[1-(2-乙氧基-2-氧代乙基)-3,4-二氢-6,7-二甲氧基-2(1H)-异喹啉基]甲基](2-甲基丙基)丙二酸二甲酯