7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline (CAS 62401-98-3) — formula C18H23N5O6, molecular weight 405.4; category organic chemicals.
| CAS Number | 62401-98-3 |
|---|---|
| Molecular Formula | C18H23N5O6 |
| Molecular Weight | 405.4 |
| LogP | -1.4 |
| Category | Organic Chemicals |
7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline is a carbon-based organic compound with CAS registry number 62401-98-3 and molecular formula C18H23N5O6 (molecular weight 405.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-98-3
Its molecular formula C18H23N5O6 comprises 18 C, 23 H, 5 N, 6 O atoms.
Also known as: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline · 7-[3-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]-2-羟丙基]茶碱
Category: organic chemicals
The CAS registry number of 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline is 62401-98-3.
Molecular formula C18H23N5O6, molecular weight 405.4.
It is also registered under: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline, 7-[3-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]-2-羟丙基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]theophyline (CAS 62401-98-3), compiled from public chemistry databases.
| CAS 号 | 62401-98-3 |
|---|---|
| PubChem CID | 3046583 |
| 分子式 | C18H23N5O6 |
| IUPAC 名称 | 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 405.4 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 405.16483347 |
| Monoisotopic Mass | 405.16483347 |
| Topological Polar Surface Area | 151 |
| Heavy Atom Count | 29 |
62401-98-3; 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; D 1977; BRN 1189558; 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)theophylline; Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)-; DTXSID70977977
7-[3-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]-2-羟丙基]茶碱 · CAS 62401-98-3 · C18H23N5O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.