化工社化工社 化学情報印刷レポート · 研究参考用
(4a,6a-dimethyltetrahydro-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalen-2a(3H)-yl)methanol
AKOS BC-3100 · (4a,6a-dimethylhexahydro-2H-1,4-dioxa-2a1-azacyclopenta[cd]pentalen-2a-yl)methanol · (4A,6A-DIMETHYL-TETRAHYDRO-1,4-DIOXA-6B-AZA-CYCLOPENTA[CD]PENTALEN-2A-YL)-METHANOL · 2H-1,4-Dioxa-6b-azacyclopenta[cd]pentalene-2a(3H)-methanol, tetrahydro-4a,6a-dimethyl- (9CI)
![(4a,6a-dimethyltetrahydro-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalen-2a(3H)-yl)methanol の分子構造式](/img/chemical/322513.png)
識別子と物理属性
| CAS No. | 60204-53-7 |
|---|---|
| 分子式 | C10H17NO3 |
| 平均分子量 | 199.25 g/mol |
| 単同位体質量 | 199.1208434 g/mol |
| SMILES | CC12CCC3(C)OCC(CO)(CO1)N23 |
| InChIKey | WOKUYHJTKOEMBG-UHFFFAOYSA-N |
| PubChem CID | 322513 |
| DTXSID | DTXSID60314054 |
化学・物理的性質
| XLogP | -0.1 |
|---|---|
| 極性表面積 | 41.9 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 1 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 261 |
| 融点 | 80-82 °C(Solv: hexane (110-54-3)) |
| 沸点 | 153-156 °C(Press: 20 Torr) |
| 密度 | 1.28±0.1 g/cm3(Predicted) |
| pKa（酸解離定数） | 15.26±0.10(Predicted) |
用途
使用
NSC 280449 is a derivative of Tromethamine (T892600); a compound that is widely used in biochemistry and molecular biology. In medicine, Tromethamine is used as an alternative to sodium bicarbonate in the treatment of metabolic acidosis.