7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline (CAS 62402-12-4) — formula C18H21N5O5, molecular weight 387.4; category organic chemicals.
| CAS Number | 62402-12-4 |
|---|---|
| Molecular Formula | C18H21N5O5 |
| Molecular Weight | 387.4 |
| LogP | 0.1 |
| Category | Organic Chemicals |
7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline is a carbon-based organic compound with CAS registry number 62402-12-4 and molecular formula C18H21N5O5 (molecular weight 387.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62402-12-4
Its molecular formula C18H21N5O5 comprises 18 C, 21 H, 5 N, 5 O atoms.
Also known as: 7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline · 7-[3-[(3,4-二羟基苯基羰基甲基)氨基]丙基]茶碱
Category: organic chemicals
The CAS registry number of 7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline is 62402-12-4.
Molecular formula C18H21N5O5, molecular weight 387.4.
It is also registered under: 7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline, 7-[3-[(3,4-二羟基苯基羰基甲基)氨基]丙基]茶碱.
Category: Organic Chemicals.
Independent reference data for 7-[3-[(3,4-Dihydroxyphenylcarbonylmethyl)amino]propyl]theophyline (CAS 62402-12-4), compiled from public chemistry databases.
| CAS 号 | 62402-12-4 |
|---|---|
| PubChem CID | 3046587 |
| 分子式 | C18H21N5O5 |
| IUPAC 名称 | 7-[3-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 387.4 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 387.15426879 |
| Monoisotopic Mass | 387.15426879 |
| Topological Polar Surface Area | 128 |
| Heavy Atom Count | 28 |
62402-12-4; 7-(3-((3,4-Dihydroxybenzoylmethyl)amino)propyl)theophylline; D 2923; BRN 1183778; Theophylline, 7-(3-((3,4-dihydroxybenzoylmethyl)amino)propyl)-; 5-26-14-00027 (Beilstein Handbook Reference); RefChem:384418; 7-(3-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(3-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)amino)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; DTXSID60977981; 7-(3-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-[(3,4-二羟基苯基羰基甲基)氨基]丙基]茶碱 · CAS 62402-12-4 · C18H21N5O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.