8-(3-Cyclohexen-1-yl)theophyline (CAS 74039-68-2) — formula C13H16N4O2, molecular weight 260.29; category organic chemicals.
| CAS Number | 74039-68-2 |
|---|---|
| Molecular Formula | C13H16N4O2 |
| Molecular Weight | 260.29 |
| LogP | 1.2 |
| Category | Organic Chemicals |
8-(3-Cyclohexen-1-yl)theophyline is a carbon-based organic compound with CAS registry number 74039-68-2 and molecular formula C13H16N4O2 (molecular weight 260.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 74039-68-2
Its molecular formula C13H16N4O2 comprises 13 C, 16 H, 4 N, 2 O atoms.
Also known as: 8-(3-Cyclohexen-1-yl)theophyline · 8-(3-环己烯-1-基)茶碱
Category: organic chemicals
The CAS registry number of 8-(3-Cyclohexen-1-yl)theophyline is 74039-68-2.
Molecular formula C13H16N4O2, molecular weight 260.29.
It is also registered under: 8-(3-Cyclohexen-1-yl)theophyline, 8-(3-环己烯-1-基)茶碱.
Category: Organic Chemicals.
Independent reference data for 8-(3-Cyclohexen-1-yl)theophyline (CAS 74039-68-2), compiled from public chemistry databases.
| CAS 号 | 74039-68-2 |
|---|---|
| PubChem CID | 97207 |
| 分子式 | C13H16N4O2 |
| IUPAC 名称 | 8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione |
| Molecular Weight | 260.29 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 260.12732577 |
| Monoisotopic Mass | 260.12732577 |
| Topological Polar Surface Area | 69.3 |
| Heavy Atom Count | 19 |
8-(3-Cyclohexen-1-yl)theophylline; 74039-68-2; Theophylline, 8-(3-cyclohexen-1-yl)-; RefChem:1074618; 1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl-; MLS002703887; 8-(Cyclohex-3-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 8-(cyclohex-3-en-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; NSC 106214; NSC106214; 8-[3-Cyclohexene]theophylline; 8-[3-Cyclohexenyl]theophylline; CHEMBL1715056; VUVQIGQQUJUTRY-UHFFFAOYSA-N; NSC-106214; SMR001570601
8-(3-环己烯-1-基)茶碱 · CAS 74039-68-2 · C13H16N4O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 8-(3-环己烯-1-基)茶碱