4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER (CAS 34549-87-6) — formula C13H21NO2, molecular weight 223.31; category organic chemicals.
| CAS Number | 34549-87-6 |
|---|---|
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.31 |
| LogP | 3.9 |
| Category | Organic Chemicals |
4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER is a carbon-based organic compound with CAS registry number 34549-87-6 and molecular formula C13H21NO2 (molecular weight 223.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34549-87-6
Its molecular formula C13H21NO2 comprises 13 C, 21 H, 1 N, 2 O atoms.
Also known as: 4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER · 4-丁基-3,5-二甲基-1H-吡咯-2-羧酸乙酯
Category: organic chemicals
The CAS registry number of 4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER is 34549-87-6.
Molecular formula C13H21NO2, molecular weight 223.31.
It is also registered under: 4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER, 4-丁基-3,5-二甲基-1H-吡咯-2-羧酸乙酯.
Category: Organic Chemicals.
Independent reference data for 4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER (CAS 34549-87-6), compiled from public chemistry databases.
| CAS 号 | 34549-87-6 |
|---|---|
| PubChem CID | 2769440 |
| 分子式 | C13H21NO2 |
| IUPAC 名称 | ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| UNII（FDA） | HMS2724D03 |
| Molecular Weight | 223.31 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 223.157228913 |
| Monoisotopic Mass | 223.157228913 |
| Topological Polar Surface Area | 42.1 |
| Heavy Atom Count | 16 |
ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate; 34549-87-6; DTXSID90377738; RefChem:343874; DTXCID50328766; ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate; 4-Butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester; MLS000729014; SCHEMBL8740919; CHEMBL1890493; HMS2724D03; SBB059496; STK683409; AKOS005597623; SMR000307292; ST4103683
4-丁基-3,5-二甲基-1H-吡咯-2-羧酸乙酯 · CAS 34549-87-6 · C13H21NO2. UNII HMS2724D03.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.