7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline (CAS 62401-70-1) — formula C20H27N5O4, molecular weight 401.5; category organic chemicals.
| CAS Number | 62401-70-1 |
|---|---|
| Molecular Formula | C20H27N5O4 |
| Molecular Weight | 401.5 |
| LogP | 1.4 |
| Category | Organic Chemicals |
7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline is a carbon-based organic compound with CAS registry number 62401-70-1 and molecular formula C20H27N5O4 (molecular weight 401.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-70-1
Its molecular formula C20H27N5O4 comprises 20 C, 27 H, 5 N, 4 O atoms.
Also known as: 7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline · 7-[4-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]丁基]茶碱
Category: organic chemicals
The CAS registry number of 7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline is 62401-70-1.
Molecular formula C20H27N5O4, molecular weight 401.5.
It is also registered under: 7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline, 7-[4-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]丁基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[4-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]butyl]theophyline (CAS 62401-70-1), compiled from public chemistry databases.
| CAS 号 | 62401-70-1 |
|---|---|
| PubChem CID | 3046573 |
| 分子式 | C20H27N5O4 |
| IUPAC 名称 | 7-[4-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]butyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 401.5 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 401.20630436 |
| Monoisotopic Mass | 401.20630436 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 29 |
62401-70-1; 7-(4-{[1-(3,4-dihydroxyphenyl)propan-2-yl]amino}butyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(4-((1-(3,4-Dihydroxyphenyl)propan-2-yl)amino)butyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 7-(4-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)butyl)theophylline; D 978; BRN 1231993; Theophylline, 7-(4-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)butyl)-; DTXSID20977967; 7-(4-{[1-(3,4-Dihydroxyphenyl)propan-2-yl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[4-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]丁基]茶碱 · CAS 62401-70-1 · C20H27N5O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.