1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE (CAS 409353-81-7) — formula C14H13NO3, molecular weight 243.26; category organic chemicals.
| CAS Number | 409353-81-7 |
|---|---|
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.26 |
| LogP | 2.4 |
| Category | Organic Chemicals |
1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is a carbon-based organic compound with CAS registry number 409353-81-7 and molecular formula C14H13NO3 (molecular weight 243.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 409353-81-7
Its molecular formula C14H13NO3 comprises 14 C, 13 H, 1 N, 3 O atoms.
Also known as: 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE · 1-(1,3-苯并二噁唑-5-基)-2,5-二甲基-1H-吡咯-3-甲醛
Category: organic chemicals
The CAS registry number of 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is 409353-81-7.
Molecular formula C14H13NO3, molecular weight 243.26.
It is also registered under: 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE, 1-(1,3-苯并二噁唑-5-基)-2,5-二甲基-1H-吡咯-3-甲醛.
Category: Organic Chemicals.
Independent reference data for 1-BENZO[1,3]DIOXOL-5-YL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE (CAS 409353-81-7), compiled from public chemistry databases.
| CAS 号 | 409353-81-7 |
|---|---|
| PubChem CID | 801538 |
| 分子式 | C14H13NO3 |
| IUPAC 名称 | 1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde |
| UNII（FDA） | HMS2701G14 |
| Molecular Weight | 243.26 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 243.08954328 |
| Monoisotopic Mass | 243.08954328 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 18 |
409353-81-7; DTXSID80355449; 1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde; RefChem:223904; DTXCID50306509; 1-Benzo[1,3]dioxol-5-yl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde; 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde; 1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde; 1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde; 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde; Oprea1_003620; Oprea1_024510; MLS000765830; CHEMBL1508954; HMS2701G14; JRA35381
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
1-(1,3-苯并二噁唑-5-基)-2,5-二甲基-1H-吡咯-3-甲醛 · CAS 409353-81-7 · C14H13NO3. UNII HMS2701G14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.