7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline (CAS 62401-93-8) — formula C21H29N5O4, molecular weight 415.5; category organic chemicals.
| CAS Number | 62401-93-8 |
|---|---|
| Molecular Formula | C21H29N5O4 |
| Molecular Weight | 415.5 |
| LogP | 1.1 |
| Category | Organic Chemicals |
7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline is a carbon-based organic compound with CAS registry number 62401-93-8 and molecular formula C21H29N5O4 (molecular weight 415.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-93-8
Its molecular formula C21H29N5O4 comprises 21 C, 29 H, 5 N, 4 O atoms.
Also known as: 7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline · 7-[3-[[2-羟基-2-(4-羟基-3,5-二甲苯基)乙基]氨基]丁基]茶碱
Category: organic chemicals
The CAS registry number of 7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline is 62401-93-8.
Molecular formula C21H29N5O4, molecular weight 415.5.
It is also registered under: 7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline, 7-[3-[[2-羟基-2-(4-羟基-3,5-二甲苯基)乙基]氨基]丁基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[3-[[2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl]amino]butyl]theophyline (CAS 62401-93-8), compiled from public chemistry databases.
| CAS 号 | 62401-93-8 |
|---|---|
| PubChem CID | 3046580 |
| 分子式 | C21H29N5O4 |
| IUPAC 名称 | 7-[3-[[2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 415.5 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 415.22195442 |
| Monoisotopic Mass | 415.22195442 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 30 |
62401-93-8; 7-(3-((2-Hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)ethyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; D 5910; BRN 1187128; 7-(3-((2-Hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl)amino)butyl)theophylline; Theophylline, 7-(3-((2-hydroxy-2-(4-hydroxy-3,5-xylyl)ethyl)amino)butyl)-; DTXSID90977974
7-[3-[[2-羟基-2-(4-羟基-3,5-二甲苯基)乙基]氨基]丁基]茶碱 · CAS 62401-93-8 · C21H29N5O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.