茶碱-7-乙酸，CAS 登记号 652-37-9，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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Theophylline-7-acetic acid · CAS 652-37-9 · C9H10N4O4. UNII M494UE2YEP.
| CAS Registry Number | 652-37-9 |
|---|---|
| PubChem CID | 69550 |
| Molecular formula | C9H10N4O4 |
| IUPAC name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid |
| UNII (FDA) | M494UE2YEP |
| Molecular Weight | 238.20 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.07020481 |
| Monoisotopic Mass | 238.07020481 |
| Topological Polar Surface Area | 95.7 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| GHS notification summary | 16.9% (11 / 65) |
|---|
| GHS notification summary | 16.9% (11 / 65) |
|---|---|
| Reported hazard statements | H302 (16.9%), H315 (80%), H319 (80%), H335 (78.5%) |
This chemical does not meet GHS hazard criteria for 16.9% (11 of 65) of reports.
H302 (16.9%): Harmful if swallowed [Warning Acute toxicity, oral]
Acefylline; 652-37-9; Theophylline-7-acetic acid; Acephylline; Theophyllineacetic acid; 7-(Carboxymethyl)theophylline; 7-Theophyllineacetic acid; 7-Theophyllinylacetic acid; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; NSC-52996; caffeine carboxylic acid; DTXSID6057796; Doxophylline metabolite m2; M494UE2YEP; 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-; NSC52996
CAS 652-37-9; molecular formula C9H10N4O4; molecular weight — g/mol.
Acefylline, 652-37-9, Theophylline-7-acetic acid, Acephylline, Theophyllineacetic acid, 7-(Carboxymethyl)theophylline.
16.9% of GHS notifications report no hazard classification (11 of 65).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.