3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid (CAS 418805-51-3) — formula C13H17N3O2, molecular weight 247.29; category organic chemicals.
| CAS Number | 418805-51-3 |
|---|---|
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.29 |
| LogP | 1.3 |
| Category | Organic Chemicals |
3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid is a carbon-based organic compound with CAS registry number 418805-51-3 and molecular formula C13H17N3O2 (molecular weight 247.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 418805-51-3
Its molecular formula C13H17N3O2 comprises 13 C, 17 H, 3 N, 2 O atoms.
Also known as: 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid · 3-(1H-1,2,4-三唑-1-基)-1-金刚烷甲酸
Category: organic chemicals
The CAS registry number of 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid is 418805-51-3.
Molecular formula C13H17N3O2, molecular weight 247.29.
It is also registered under: 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid, 3-(1H-1,2,4-三唑-1-基)-1-金刚烷甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid (CAS 418805-51-3), compiled from public chemistry databases.
| CAS 号 | 418805-51-3 |
|---|---|
| PubChem CID | 2856977 |
| 分子式 | C13H17N3O2 |
| IUPAC 名称 | 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| Molecular Weight | 247.29 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.132076794 |
| Monoisotopic Mass | 247.132076794 |
| Topological Polar Surface Area | 68 |
| Heavy Atom Count | 18 |
(1R,3s,5r,7s)-3-(1h-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid; RefChem:393425; 824-401-2; 418805-51-3; 3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid; 3-[1,2,4]Triazol-1-yl-adamantane-1-carboxylic acid; 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid; 3-(1H-1,2,4-Triazol-1-yl)adamantane-1-carboxylic acid; MFCD03108607; DTXSID30386268; TRA80551; SBB011895; AKOS000302260; AKOS022184426; CS-0236653; 3-(1,2,4-triazolyl)adamantanecarboxylic acid
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
3-(1H-1,2,4-三唑-1-基)-1-金刚烷甲酸 · CAS 418805-51-3 · C13H17N3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.