7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline (CAS 62401-71-2) — formula C21H29N5O4, molecular weight 415.5; category organic chemicals.
| CAS Number | 62401-71-2 |
|---|---|
| Molecular Formula | C21H29N5O4 |
| Molecular Weight | 415.5 |
| LogP | 1.8 |
| Category | Organic Chemicals |
7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline is a carbon-based organic compound with CAS registry number 62401-71-2 and molecular formula C21H29N5O4 (molecular weight 415.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62401-71-2
Its molecular formula C21H29N5O4 comprises 21 C, 29 H, 5 N, 4 O atoms.
Also known as: 7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline · 7-[5-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]戊基]茶碱
Category: organic chemicals
The CAS registry number of 7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline is 62401-71-2.
Molecular formula C21H29N5O4, molecular weight 415.5.
It is also registered under: 7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline, 7-[5-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]戊基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline (CAS 62401-71-2), compiled from public chemistry databases.
| CAS 号 | 62401-71-2 |
|---|---|
| PubChem CID | 3046574 |
| 分子式 | C21H29N5O4 |
| IUPAC 名称 | 7-[5-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]pentyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 415.5 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 415.22195442 |
| Monoisotopic Mass | 415.22195442 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 30 |
62401-71-2; 7-(5-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)pentyl)theophylline; D 973; BRN 1232220; 5-26-14-00036 (Beilstein Handbook Reference); Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-; RefChem:384440; 7-(5-{[1-(3,4-dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(5-((1-(3,4-Dihydroxyphenyl)propan-2-yl)amino)pentyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; DTXSID80977968; 7-(5-{[1-(3,4-Dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[5-[[2-(3,4-二羟基苯基)-1-甲基乙基]氨基]戊基]茶碱 · CAS 62401-71-2 · C21H29N5O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.