7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline (CAS 62401-69-8) — formula C18H23N5O4, molecular weight 373.4; category organic chemicals.
| CAS Number | 62401-69-8 |
|---|---|
| Molecular Formula | C18H23N5O4 |
| Molecular Weight | 373.4 |
| LogP | 0.7 |
| Category | Organic Chemicals |
7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline is a carbon-based organic compound with CAS registry number 62401-69-8 and molecular formula C18H23N5O4 (molecular weight 373.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-69-8
Its molecular formula C18H23N5O4 comprises 18 C, 23 H, 5 N, 4 O atoms.
Also known as: 7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline · 7-[2-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]乙基]茶碱
Category: organic chemicals
The CAS registry number of 7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline is 62401-69-8.
Molecular formula C18H23N5O4, molecular weight 373.4.
It is also registered under: 7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline, 7-[2-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]乙基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[2-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]ethyl]theophyline (CAS 62401-69-8), compiled from public chemistry databases.
| CAS 号 | 62401-69-8 |
|---|---|
| PubChem CID | 3046572 |
| 分子式 | C18H23N5O4 |
| IUPAC 名称 | 7-[2-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 373.4 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 373.17500423 |
| Monoisotopic Mass | 373.17500423 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 27 |
62401-69-8; 7-(2-{[1-(3,4-dihydroxyphenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(2-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)ethyl)theophylline; 7-(2-((1-(3,4-Dihydroxyphenyl)propan-2-yl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; D 495; BRN 1231177; Theophylline, 7-(2-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)ethyl)-; SCHEMBL682776; DTXSID60977966; 7-(2-{[1-(3,4-Dihydroxyphenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]乙基]茶碱 · CAS 62401-69-8 · C18H23N5O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.