7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline (CAS 62401-94-9) — formula C19H25N5O5, molecular weight 403.4; category organic chemicals.
| CAS Number | 62401-94-9 |
|---|---|
| Molecular Formula | C19H25N5O5 |
| Molecular Weight | 403.4 |
| LogP | -0.1 |
| Category | Organic Chemicals |
7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline is a carbon-based organic compound with CAS registry number 62401-94-9 and molecular formula C19H25N5O5 (molecular weight 403.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-94-9
Its molecular formula C19H25N5O5 comprises 19 C, 25 H, 5 N, 5 O atoms.
Also known as: 7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline · 7-[4-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]丁基]茶碱
Category: organic chemicals
The CAS registry number of 7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline is 62401-94-9.
Molecular formula C19H25N5O5, molecular weight 403.4.
It is also registered under: 7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline, 7-[4-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]丁基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[4-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]theophyline (CAS 62401-94-9), compiled from public chemistry databases.
| CAS 号 | 62401-94-9 |
|---|---|
| PubChem CID | 3046581 |
| 分子式 | C19H25N5O5 |
| IUPAC 名称 | 7-[4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 403.4 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 403.18556891 |
| Monoisotopic Mass | 403.18556891 |
| Topological Polar Surface Area | 131 |
| Heavy Atom Count | 29 |
62401-94-9; D 1930; BRN 1188063; Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-; 5-26-14-00033 (Beilstein Handbook Reference); 7-(4-(2-((3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline; RefChem:384435; 7-(4-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; DTXSID50977975; 7-(4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[4-[[2-(3,4-二羟基苯基)-2-羟乙基]氨基]丁基]茶碱 · CAS 62401-94-9 · C19H25N5O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.