1,2-dimethylindole-3-carboxylic acid
1,2-dimethylindole-3-carboxylic acid structure
|
Common Name | 1,2-dimethylindole-3-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 20357-15-7 | Molecular Weight | 189.21100 | |
| Density | 1.21 g/cm3 | Boiling Point | 393.1ºC at 760 mmHg | |
| Molecular Formula | C11H11NO2 | Melting Point | 200-202ºC | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2-dimethylindole-3-carboxylic acid |
|---|---|
| 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 | 1.21 g/cm3 |
|---|---|
| Boiling Point | 393.1ºC at 760 mmHg |
| Melting Point | 200-202ºC |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.21100 |
| Exact Mass | 189.07900 |
| PSA | 42.23000 |
| LogP | 2.18490 |
| Vapour Pressure | 6.95E-07mmHg at 25°C |
| InChIKey | XYRXQPDMBJNYIU-UHFFFAOYSA-N |
| SMILES | Cc1c(C(=O)O)c2ccccc2n1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~71%
1,2-dimethylind... CAS#:20357-15-7 |
| Literature: Nemoto, Koji; Onozawa, Satoru; Egusa, Naoki; Morohashi, Naoya; Hattori, Tetsutaro Tetrahedron Letters, 2009 , vol. 50, # 31 p. 4512 - 4514 |
|
~10%
1,2-dimethylind... CAS#:20357-15-7 |
| Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1346982 A1, 2003 ; |
|
~%
1,2-dimethylind... CAS#:20357-15-7 |
| Literature: Journal of Medicinal Chemistry, , vol. 36, # 18 p. 2645 - 2657 |
|
~%
1,2-dimethylind... CAS#:20357-15-7 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 13 p. 1425 - 1432 |
|
~%
1,2-dimethylind... CAS#:20357-15-7 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 236, p. 158 |
This 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: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
|
|
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
|
|
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
|
|
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2-dimethyl-indole-3-carboxylic acid |
| 1,2-Dimethyl-1H-indole-3-carboxylic acid |
| MFCD00756896 |
| 1,2-Dimethyl-indol-3-carbonsaeure |
| dimethylindolecarboxylicacid |
| 1,2-Dimethyl-indol-carbonsaeure-(3) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 1,2-dimethylindole-3-carboxylic acid? |
| A: LogP of 1,2-dimethylindole-3-carboxylic acid is 2.18490. |
| Q: What is the SMILES notation of 1,2-dimethylindole-3-carboxylic acid? |
| A: SMILES notation of 1,2-dimethylindole-3-carboxylic acid is Cc1c(C(=O)O)c2ccccc2n1C. |
| Q: What is the CAS number of 1,2-dimethylindole-3-carboxylic acid? |
| A: CAS number of 1,2-dimethylindole-3-carboxylic acid is 20357-15-7. |
| Q: What is the polar surface area (PSA) of 1,2-dimethylindole-3-carboxylic acid? |
| A: Polar surface area (PSA) of 1,2-dimethylindole-3-carboxylic acid is 42.23000. |
| Q: What is the English name of 1,2-dimethylindole-3-carboxylic acid? |
| A: The English name of 1,2-dimethylindole-3-carboxylic acid is 1,2-dimethylindole-3-carboxylic acid. |
| Q: What English synonyms does 1,2-dimethylindole-3-carboxylic acid have? |
| A: English synonyms of 1,2-dimethylindole-3-carboxylic acid: 1,2-dimethyl-indole-3-carboxylic acid, 1,2-Dimethyl-1H-indole-3-carboxylic acid, MFCD00756896, 1,2-Dimethyl-indol-3-carbonsaeure, dimethylindolecarboxylicacid, 1,2-Dimethyl-indol-carbonsaeure-(3). |
| Q: What is the melting point of 1,2-dimethylindole-3-carboxylic acid? |
| A: Melting point of 1,2-dimethylindole-3-carboxylic acid is 200-202ºC. |
| Q: What is the boiling point of 1,2-dimethylindole-3-carboxylic acid? |
| A: Boiling point of 1,2-dimethylindole-3-carboxylic acid is 393.1ºC at 760 mmHg. |
| Q: What is the molecular weight of 1,2-dimethylindole-3-carboxylic acid? |
| A: Molecular weight of 1,2-dimethylindole-3-carboxylic acid is 189.21100. |
| Q: What is the InChIKey of 1,2-dimethylindole-3-carboxylic acid? |
| A: InChIKey of 1,2-dimethylindole-3-carboxylic acid is XYRXQPDMBJNYIU-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |