3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE (CAS 87031-30-9) — formula C8H14N2O, molecular weight 154.21; category organic chemicals.
| CAS Number | 87031-30-9 |
|---|---|
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.21 |
| LogP | 1.1 |
| Category | Organic Chemicals |
3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE is a carbon-based organic compound with CAS registry number 87031-30-9 and molecular formula C8H14N2O (molecular weight 154.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87031-30-9
Its molecular formula C8H14N2O comprises 8 C, 14 H, 2 N, 1 O atoms.
Also known as: 3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE · 3-叔-丁基-1-甲基-2-吡唑啉-5-酮
Category: organic chemicals
The CAS registry number of 3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE is 87031-30-9.
Molecular formula C8H14N2O, molecular weight 154.21.
It is also registered under: 3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE, 3-叔-丁基-1-甲基-2-吡唑啉-5-酮.
Category: Organic Chemicals.
Independent reference data for 3-TERT-BUTYL-1-METHYL-2-PYRAZOLIN-5-ONE (CAS 87031-30-9), compiled from public chemistry databases.
| CAS 号 | 87031-30-9 |
|---|---|
| PubChem CID | 2735686 |
| 分子式 | C8H14N2O |
| IUPAC 名称 | 5-tert-butyl-2-methyl-4H-pyrazol-3-one |
| UNII（FDA） | HMS1521P04 |
| Molecular Weight | 154.21 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.110613074 |
| Monoisotopic Mass | 154.110613074 |
| Topological Polar Surface Area | 32.7 |
| Heavy Atom Count | 11 |
3-tert-butyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one; RefChem:505351; 968-573-8; 87031-30-9; 3-tert-Butyl-1-methyl-2-pyrazolin-5-one; 5-tert-butyl-2-methyl-4H-pyrazol-3-one; 3-(tert-Butyl)-1-methyl-1H-pyrazol-5(4H)-one; MFCD00051761; 3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one; 3-(tert-butyl)-1-methyl-2-pyrazolin-5-one; 5-(tert-Butyl)-2,4-dihydro-2-methyl-3H-pyrazol-3-one; CTK5F7636; Maybridge4_000334; MLS000833701; SCHEMBL7252699; CHEMBL1566134
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
3-叔-丁基-1-甲基-2-吡唑啉-5-酮 · CAS 87031-30-9 · C8H14N2O. UNII HMS1521P04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-叔-丁基-1-甲基-2-吡唑啉-5-酮