Ethyl 2,5-dimethylpyrrole-3-carboxylate
Ethyl 2,5-dimethylpyrrole-3-carboxylate structure
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Common Name | Ethyl 2,5-dimethylpyrrole-3-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 2199-52-2 | Molecular Weight | 167.20500 | |
| Density | 1.08g/cm3 | Boiling Point | 307ºC at 760 mmHg | |
| Molecular Formula | C9H13NO2 | Melting Point | 118-119ºC | |
| MSDS | N/A | Flash Point | 139.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.08g/cm3 |
|---|---|
| Boiling Point | 307ºC at 760 mmHg |
| Melting Point | 118-119ºC |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.20500 |
| Flash Point | 139.5ºC |
| Exact Mass | 167.09500 |
| PSA | 42.09000 |
| LogP | 1.80820 |
| Vapour Pressure | 0.000745mmHg at 25°C |
| Index of Refraction | 1.516 |
| InChIKey | NOCOMGOGAJYTPH-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cc(C)[nH]c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 8 | |
CAS#:913553-61-4
CAS#:78932-46-4
CAS#:75-05-8
CAS#:231609-65-7
CAS#:623-73-4
CAS#:1118-66-7
CAS#:626-34-6
CAS#:2199-56-6
CAS#:141-97-9
CAS#:57338-76-8
CAS#:625-84-3
CAS#:125102-42-3
CAS#:2199-54-4
CAS#:69687-78-1
CAS#:776-24-9![1H-Pyrrole-2,4-dicarboxylicacid, 5-[[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl]-3-methyl-,2,4-diethyl ester structure](https://image.chemsrc.com/caspic/390/6266-25-7.png)
CAS#:6266-25-7
CAS#:63050-13-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-carboethoxy-2,5-dimethylpyrrole |
| 2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester |
| 2,5-dimethyl-4-ethoxycarbonylpyrrole |
| 2,5-Dimethyl-pyrrol-3-carbonsaeure-aethylester |
| Ethyl 2,5-Dimethylpyrrole-3-carboxylate |
| 2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate: 913553-61-4;78932-46-4;75-05-8;231609-65-7;623-73-4;1118-66-7;626-34-6;2199-56-6;141-97-9. |
| Q: What is the boiling point of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: Boiling point of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is 307ºC at 760 mmHg. |
| Q: What is the CAS number of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: CAS number of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is 2199-52-2. |
| Q: What English synonyms does ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate have? |
| A: English synonyms of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate: 3-carboethoxy-2,5-dimethylpyrrole, 2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 2,5-dimethyl-4-ethoxycarbonylpyrrole, 2,5-Dimethyl-pyrrol-3-carbonsaeure-aethylester, Ethyl 2,5-Dimethylpyrrole-3-carboxylate, 2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester. |
| Q: What is the polar surface area (PSA) of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: Polar surface area (PSA) of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is 42.09000. |
| Q: What is the molecular weight of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: Molecular weight of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is 167.20500. |
| Q: What is the English name of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: The English name of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate. |
| Q: What is the InChIKey of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: InChIKey of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is NOCOMGOGAJYTPH-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: SMILES notation of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(C)[nH]c1C. |
| Q: What is the melting point of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate? |
| A: Melting point of ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate is 118-119ºC. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |