triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate] (CAS 97171-71-6) — formula C42H60N6O15, molecular weight 889.0; category organic chemicals.
| CAS Number | 97171-71-6 |
|---|---|
| Molecular Formula | C42H60N6O15 |
| Molecular Weight | 889.0 |
| LogP | 3 |
| Category | Organic Chemicals |
triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate] is a carbon-based organic compound with CAS registry number 97171-71-6 and molecular formula C42H60N6O15 (molecular weight 889.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97171-71-6
Its molecular formula C42H60N6O15 comprises 42 C, 60 H, 6 N, 15 O atoms.
Also known as: triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate] · 三乙基2,2',2''-[(2,4,6-三氧代-1,3,5-三嗪-1,3,5(2H,4H,6H)-三基)三(己烷-6,1-二基亚氨基羰基)]三[3-氧代丁酸酯]
Category: organic chemicals
The CAS registry number of triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate] is 97171-71-6.
Molecular formula C42H60N6O15, molecular weight 889.0.
It is also registered under: triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate], 三乙基2,2',2''-[(2,4,6-三氧代-1,3,5-三嗪-1,3,5(2H,4H,6H)-三基)三(己烷-6,1-二基亚氨基羰基)]三[3-氧代丁酸酯].
Category: Organic Chemicals.
Independent reference data for triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate] (CAS 97171-71-6), compiled from public chemistry databases.
| CAS 号 | 97171-71-6 |
|---|---|
| PubChem CID | 44148559 |
| 分子式 | C42H60N6O15 |
| IUPAC 名称 | ethyl 2-[2-[3,5-bis[1-(2-ethoxycarbonyl-3-oxobutanoyl)azepan-2-yl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]azepane-1-carbonyl]-3-oxobutanoate |
| Molecular Weight | 889.0 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 18 |
| Exact Mass | 888.41166523 |
| Monoisotopic Mass | 888.41166523 |
| Topological Polar Surface Area | 252 |
| Heavy Atom Count | 63 |
97171-71-6; EINECS 306-388-0; DTXSID80914075; USKLALZYLXRRCH-UHFFFAOYSA-N
三乙基2,2',2''-[(2,4,6-三氧代-1,3,5-三嗪-1,3,5(2H,4H,6H)-三基)三(己烷-6,1-二基亚氨基羰基)]三[3-氧代丁酸酯] · CAS 97171-71-6 · C42H60N6O15.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三乙基2,2',2''-[(2,4,6-三氧代-1,3,5-三嗪-1,3,5(2H,4H,6H)-三基)三(己烷-6,1-二基亚氨基羰基)]三[3-氧代丁酸酯]