3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione (CAS 1024-65-3) — formula C12H18N4O2, molecular weight 250.30; category organic chemicals.
| CAS Number | 1024-65-3 |
|---|---|
| Molecular Formula | C12H18N4O2 |
| Molecular Weight | 250.30 |
| LogP | 1.6 |
| Category | Organic Chemicals |
3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione is a carbon-based organic compound with CAS registry number 1024-65-3 and molecular formula C12H18N4O2 (molecular weight 250.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1024-65-3
Its molecular formula C12H18N4O2 comprises 12 C, 18 H, 4 N, 2 O atoms.
Also known as: 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione · 3,7-二氢-3,7-二甲基-1-异戊基-1H-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione is 1024-65-3.
Molecular formula C12H18N4O2, molecular weight 250.30.
It is also registered under: 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione, 3,7-二氢-3,7-二甲基-1-异戊基-1H-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione (CAS 1024-65-3), compiled from public chemistry databases.
| CAS 号 | 1024-65-3 |
|---|---|
| PubChem CID | 70561 |
| 分子式 | C12H18N4O2 |
| IUPAC 名称 | 3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione |
| UNII（FDA） | 63US8C0W8J |
| Molecular Weight | 250.30 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 250.14297583 |
| Monoisotopic Mass | 250.14297583 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 18 |
1-Isoamyl-3,7-dimethylxanthine; 1024-65-3; Theobromine, 1-isopentyl-; 1-Isoamyl theobromine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)-; NSC 3112; UNII-63US8C0W8J; 63US8C0W8J; NSC-3112; DTXSID00145041; RefChem:76107; DTXCID7067532; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(3-methylbutyl)-(9CI); 1-Isoamyltheobromine; 3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione; 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione
3,7-二氢-3,7-二甲基-1-异戊基-1H-嘌呤-2,6-二酮 · CAS 1024-65-3 · C12H18N4O2. UNII 63US8C0W8J.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.