8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 5434-62-8) — formula C13H12ClN5O2, molecular weight 305.72; category organic chemicals.
| CAS Number | 5434-62-8 |
|---|---|
| Molecular Formula | C13H12ClN5O2 |
| Molecular Weight | 305.72 |
| LogP | 2.1 |
| Category | Organic Chemicals |
8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is a carbon-based organic compound with CAS registry number 5434-62-8 and molecular formula C13H12ClN5O2 (molecular weight 305.72), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5434-62-8
Its molecular formula C13H12ClN5O2 comprises 13 C, 12 H, 1 Cl, 5 N, 2 O atoms.
Also known as: 8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione · 8-[(4-氯苯基)氨基]-3,7-二氢-1,3-二甲基-1H-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 5434-62-8.
Molecular formula C13H12ClN5O2, molecular weight 305.72.
It is also registered under: 8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 8-[(4-氯苯基)氨基]-3,7-二氢-1,3-二甲基-1H-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 8-[(4-Chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 5434-62-8), compiled from public chemistry databases.
| CAS 号 | 5434-62-8 |
|---|---|
| PubChem CID | 95027 |
| 分子式 | C13H12ClN5O2 |
| IUPAC 名称 | 8-(4-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione |
| UNII（FDA） | 3G494MY9F8 |
| Molecular Weight | 305.72 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.0679523 |
| Monoisotopic Mass | 305.0679523 |
| Topological Polar Surface Area | 81.3 |
| Heavy Atom Count | 21 |
Theophylline, 8-(p-chloroanilino)-; 5434-62-8; 8-(p-Chlorophenylamino)theophylline; NSC 14126; BRN 1224805; DTXSID50202714; 1H-Purine-2,6-dione, 8-((4-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-; RefChem:189201; DTXCID80125205; 1H-Purine-2,6-dione, 8-((4-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-(9CI); NSC-14126; 8-[(4-chlorophenyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 8-((4-Chlorophenyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 8-(p-Chloroanilino)theophylline; NSC14126; 3G494MY9F8
8-[(4-氯苯基)氨基]-3,7-二氢-1,3-二甲基-1H-嘌呤-2,6-二酮 · CAS 5434-62-8 · C13H12ClN5O2. UNII 3G494MY9F8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.