1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (CAS 13460-96-3) — formula C10H14N4O4, molecular weight 254.24; category organic chemicals.
| CAS Number | 13460-96-3 |
|---|---|
| Molecular Formula | C10H14N4O4 |
| Molecular Weight | 254.24 |
| LogP | -1.4 |
| Category | Organic Chemicals |
1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is a carbon-based organic compound with CAS registry number 13460-96-3 and molecular formula C10H14N4O4 (molecular weight 254.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13460-96-3
Its molecular formula C10H14N4O4 comprises 10 C, 14 H, 4 N, 4 O atoms.
Also known as: 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione · 1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is 13460-96-3.
Molecular formula C10H14N4O4, molecular weight 254.24.
It is also registered under: 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, 1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (CAS 13460-96-3), compiled from public chemistry databases.
| CAS 号 | 13460-96-3 |
|---|---|
| PubChem CID | 101172 |
| 分子式 | C10H14N4O4 |
| IUPAC 名称 | 1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione |
| UNII（FDA） | SU17H31P26 |
| Molecular Weight | 254.24 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.10150494 |
| Monoisotopic Mass | 254.10150494 |
| Topological Polar Surface Area | 98.9 |
| Heavy Atom Count | 18 |
13460-96-3; Theocardin; Dihydroxypropyltheobromine; Isobromin; Theocardine; 1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; 1-(2,3-Dihydroxypropyl)theobromine; 1-Dihydroxypropyltheobromine; Theobromine, 1-(2,3-dihydroxypropyl)-; EINECS 236-660-3; NSC 515487; UNII-SU17H31P26; BRN 0284032; SU17H31P26; 1-(2,3-Dihydroxypropyl)-3,7-dimethylxanthine; 1-(beta,gamma-Dioxypropyl)-theobromin [German]
1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮 · CAS 13460-96-3 · C10H14N4O4. UNII SU17H31P26.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.