methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide
methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide structure
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Common Name | methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide | ||
|---|---|---|---|---|
| CAS Number | 6516-41-2 | Molecular Weight | 308.17000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H14BrNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide |
|---|---|
| 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.
| Molecular Formula | C14H14BrNO2 |
|---|---|
| Molecular Weight | 308.17000 |
| Exact Mass | 307.02100 |
| PSA | 30.18000 |
| InChIKey | ITRVFZHSHIJYCZ-UHFFFAOYSA-M |
| SMILES | COC(=O)c1ccc[n+](Cc2ccccc2)c1.[Br-] |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
methyl 1-benzyl... CAS#:6516-41-2 |
| Literature: Baumert, Christiane; Guenthel, Marianne; Krawczyk, Soeren; Hemmer, Marc; Wersig, Tom; Langner, Andreas; Molnar, Josef; Lage, Hermann; Hilgeroth, Andreas Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 1 p. 166 - 177 |
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~%
methyl 1-benzyl... CAS#:6516-41-2
Learn More
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| Literature: Lee, In-Sook Han; Ostovic, Drazen; Kreevoy, Maurice Journal of the American Chemical Society, 1988 , vol. 110, # 12 p. 3989 - 3993 |
![Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione,3,10-dimethyl structure](https://image.chemsrc.com/caspic/364/38559-35-2.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 3 | |
CAS#:7146-29-4This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pyridinium,3-(methoxycarbonyl)-1-(phenylmethyl)-,bromide |
| 1-Benzyl-3-methoxycarbonyl-pyridinium,Bromid |
| 1-benzyl-3-methoxycarbonylpyridinium bromide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: InChIKey of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is ITRVFZHSHIJYCZ-UHFFFAOYSA-M. |
| Q: What English synonyms does methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide have? |
| A: English synonyms of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide: Pyridinium,3-(methoxycarbonyl)-1-(phenylmethyl)-,bromide, 1-Benzyl-3-methoxycarbonyl-pyridinium,Bromid, 1-benzyl-3-methoxycarbonylpyridinium bromide. |
| Q: What is the CAS number of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: CAS number of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is 6516-41-2. |
| Q: What are the downstream products of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: Related downstream products(CAS) of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide: 7146-29-4;57355-62-1;38559-35-2. |
| Q: What is the molecular formula of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: Molecular formula of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is C14H14BrNO2. |
| Q: What is the SMILES notation of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: SMILES notation of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is COC(=O)c1ccc[n+](Cc2ccccc2)c1.[Br-]. |
| Q: What is the molecular weight of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: Molecular weight of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is 308.17000. |
| Q: What are the upstream materials of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: Related upstream materials(CAS) of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide: 93-60-7;100-39-0;57355-62-1;38559-35-2. |
| Q: What is the polar surface area (PSA) of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide? |
| A: Polar surface area (PSA) of methyl 1-benzylpyridin-1-ium-3-carboxylate,bromide is 30.18000. |
| Q: What is the Chinese name of 6516-41-2? |
| A: Chinese name of 6516-41-2 is 6516-41-2. |