caffeine aspartate (CAS 52243-45-5) — formula C12H17N5O6, molecular weight 327.29; category organic chemicals.
| CAS Number | 52243-45-5 |
|---|---|
| Molecular Formula | C12H17N5O6 |
| Molecular Weight | 327.29 |
| Category | Organic Chemicals |
caffeine aspartate is a carbon-based organic compound with CAS registry number 52243-45-5 and molecular formula C12H17N5O6 (molecular weight 327.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52243-45-5
Its molecular formula C12H17N5O6 comprises 12 C, 17 H, 5 N, 6 O atoms.
Also known as: caffeine aspartate · 天门冬氨酸咖啡因
Category: organic chemicals
The CAS registry number of caffeine aspartate is 52243-45-5.
Molecular formula C12H17N5O6, molecular weight 327.29.
It is also registered under: caffeine aspartate, 天门冬氨酸咖啡因.
Category: Organic Chemicals.
Independent reference data for caffeine aspartate (CAS 52243-45-5), compiled from public chemistry databases.
| CAS 号 | 52243-45-5 |
|---|---|
| PubChem CID | 57350477 |
| 分子式 | C12H17N5O6 |
| IUPAC 名称 | (2S)-2-aminobutanedioic acid;1,3,7-trimethylpurine-2,6-dione |
| Molecular Weight | 327.29 |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 327.11788328 |
| Monoisotopic Mass | 327.11788328 |
| Topological Polar Surface Area | 159 |
| Heavy Atom Count | 23 |
52243-45-5; 1,3,7-Trimethyl-1H-purine-2,6(3H,7H)-dione (S)-2-aminosuccinate; DTXSID10722160; (2S)-2-aminobutanedioic acid; 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; L-Aspartic acid--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)
天门冬氨酸咖啡因 · CAS 52243-45-5 · C12H17N5O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 天门冬氨酸咖啡因