1-methylpyridinio-3-carboxylate (CAS 535-83-1) — formula C7H7NO2, molecular weight 137.14; category organic chemicals.
| CAS Number | 535-83-1 |
|---|---|
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.14 |
| LogP | 1.2 |
| Category | Organic Chemicals |
1-methylpyridinio-3-carboxylate is a carbon-based organic compound with CAS registry number 535-83-1 and molecular formula C7H7NO2 (molecular weight 137.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 535-83-1
Its molecular formula C7H7NO2 comprises 7 C, 7 H, 1 N, 2 O atoms.
Also known as: 1-methylpyridinio-3-carboxylate · 1-甲基吡啶基-3-羧酸酯
Category: organic chemicals
The CAS registry number of 1-methylpyridinio-3-carboxylate is 535-83-1.
Molecular formula C7H7NO2, molecular weight 137.14.
It is also registered under: 1-methylpyridinio-3-carboxylate, 1-甲基吡啶基-3-羧酸酯.
Category: Organic Chemicals.
Independent reference data for 1-methylpyridinio-3-carboxylate (CAS 535-83-1), compiled from public chemistry databases.
| CAS Registry Number | 535-83-1 |
|---|---|
| PubChem CID | 5570 |
| Molecular formula | C7H7NO2 |
| IUPAC name | 1-methylpyridin-1-ium-3-carboxylate |
| UNII (FDA) | 3NQ9N60I00 |
| Molecular Weight | 137.14 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 137.047678466 |
| Monoisotopic Mass | 137.047678466 |
| Topological Polar Surface Area | 44 |
| Heavy Atom Count | 10 |
Trigonelline; 535-83-1; Gynesine; N-Methylnicotinate; Caffearine; Coffearine; Trigonellin; 1-methylpyridin-1-ium-3-carboxylate; Betain nicotinate; Coffearin; Betaine nicotinate; 1-Methylpyridinio-3-carboxylate; Caffearin; Nicotinic acid N-methylbetaine; Trigenelline; 3-Carboxy-1-methylpyridinium hydroxide inner salt
| GHS notification summary | 33.3% (1 / 3) |
|---|
| GHS notification summary | 33.3% (1 / 3) |
|---|---|
| Reported hazard statements | H315 (33.3%), H319 (66.7%) |
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
1-methylpyridinio-3-carboxylate · CAS 535-83-1 · C7H7NO2. UNII 3NQ9N60I00.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲基吡啶基-3-羧酸酯