1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione (CAS 5770-30-9) — formula C11H16N4O2, molecular weight 236.27; category organic chemicals.
| CAS Number | 5770-30-9 |
|---|---|
| Molecular Formula | C11H16N4O2 |
| Molecular Weight | 236.27 |
| LogP | 1.6 |
| Category | Organic Chemicals |
1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione is a carbon-based organic compound with CAS registry number 5770-30-9 and molecular formula C11H16N4O2 (molecular weight 236.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5770-30-9
Its molecular formula C11H16N4O2 comprises 11 C, 16 H, 4 N, 2 O atoms.
Also known as: 1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione · 1,3-二甲基-8-异丁基-1H-嘌呤-2,6(3H,7H)-二酮
Category: organic chemicals
The CAS registry number of 1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione is 5770-30-9.
Molecular formula C11H16N4O2, molecular weight 236.27.
It is also registered under: 1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione, 1,3-二甲基-8-异丁基-1H-嘌呤-2,6(3H,7H)-二酮.
Category: Organic Chemicals.
Independent reference data for 1,3-Dimethyl-8-isobutyl-1H-purine-2,6(3H,7H)-dione (CAS 5770-30-9), compiled from public chemistry databases.
| CAS 号 | 5770-30-9 |
|---|---|
| PubChem CID | 79839 |
| 分子式 | C11H16N4O2 |
| IUPAC 名称 | 1,3-dimethyl-8-(2-methylpropyl)-7H-purine-2,6-dione |
| UNII（FDA） | 1PI5BD4DI0 |
| Molecular Weight | 236.27 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.12732577 |
| Monoisotopic Mass | 236.12732577 |
| Topological Polar Surface Area | 69.3 |
| Heavy Atom Count | 17 |
Theophylline, 8-isobutyl-; 5770-30-9; 1PI5BD4DI0; NSC-101801; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-methylpropyl)-; DTXSID70206411; 3,9-Dihydro-1,3-dimethyl-8-(2-methylpropyl)-1H-purine-2,6-dione; RefChem:1066237; DTXCID70128902; 8-Isobutyl theophylline; 8-Isobutyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 1,3-dimethyl-8-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione; Xanthine, 1,3-dimethyl-8-isobutyl-; NSC 101801; BRN 0235781; NSC101801
1,3-二甲基-8-异丁基-1H-嘌呤-2,6(3H,7H)-二酮 · CAS 5770-30-9 · C11H16N4O2. UNII 1PI5BD4DI0.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.