methyl 1-cyano-1H-isoquinoline-2-carboxylate
methyl 1-cyano-1H-isoquinoline-2-carboxylate structure
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Common Name | methyl 1-cyano-1H-isoquinoline-2-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 17954-40-4 | Molecular Weight | 214.22000 | |
| Density | 1.28g/cm3 | Boiling Point | 430.6ºC at 760 mmHg | |
| Molecular Formula | C12H10N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 214.2ºC | |
Summary: Methyl 1-cyano-1H-isoquinoline-2-carboxylate, Chinese name is 甲基异喹啉-2-羧腈，CAS number is 17954-40-4，molecular formula is C12H10N2O2，molecular weight is 214.22000. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 1-cyano-1H-isoquinoline-2-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 | 1.28g/cm3 |
|---|---|
| Boiling Point | 430.6ºC at 760 mmHg |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.22000 |
| Flash Point | 214.2ºC |
| Exact Mass | 214.07400 |
| PSA | 53.33000 |
| LogP | 2.24188 |
| Vapour Pressure | 1.28E-07mmHg at 25°C |
| Index of Refraction | 1.611 |
| InChIKey | JMBHYLOJQVEUHL-UHFFFAOYSA-N |
| SMILES | COC(=O)N1C=Cc2ccccc2C1C#N |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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methyl 1-cyano-... CAS#:17954-40-4 |
| Literature: Fuchs, Christian; Bender, Christoph; Ziemer, Burkhard; Liebscher, Juergen Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 6 p. 1651 - 1658 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 6 | |
CAS#:24824-54-2
CAS#:794-94-5
CAS#:619-50-1
CAS#:112-61-8
CAS#:1198-30-7
CAS#:72787-99-6This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Cyan-1,2-dihydro-N-methoxycarbonyl-isochinolin |
| 2-carbmethoxy-1-cyano-1,2-dihydroisoquinoline |
| 1,2-dihydro-2-methoxycarbonylisoquinoline-1-carbonitrile |
| 1-cyano-1H-isoquinoline-2-carboxylic acid methyl ester |
| methyl 1-cyanoisoquinoline-2(1h)-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: CAS number of methyl 1-cyano-1H-isoquinoline-2-carboxylate is 17954-40-4. |
| Q: What are the upstream materials of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: Related upstream materials(CAS) of methyl 1-cyano-1H-isoquinoline-2-carboxylate: 119-65-3;7677-24-9;79-22-1. |
| Q: What is the InChIKey of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: InChIKey of methyl 1-cyano-1H-isoquinoline-2-carboxylate is JMBHYLOJQVEUHL-UHFFFAOYSA-N. |
| Q: What is the molecular formula of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: Molecular formula of methyl 1-cyano-1H-isoquinoline-2-carboxylate is C12H10N2O2. |
| Q: What are the downstream products of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: Related downstream products(CAS) of methyl 1-cyano-1H-isoquinoline-2-carboxylate: 24824-54-2;794-94-5;619-50-1;112-61-8;1198-30-7;72787-99-6. |
| Q: What is the Chinese name of 17954-40-4? |
| A: Chinese name of 17954-40-4 is 17954-40-4. |
| Q: What is the SMILES notation of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: SMILES notation of methyl 1-cyano-1H-isoquinoline-2-carboxylate is COC(=O)N1C=Cc2ccccc2C1C#N. |
| Q: What is the LogP of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: LogP of methyl 1-cyano-1H-isoquinoline-2-carboxylate is 2.24188. |
| Q: What is the polar surface area (PSA) of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: Polar surface area (PSA) of methyl 1-cyano-1H-isoquinoline-2-carboxylate is 53.33000. |
| Q: What is the English name of methyl 1-cyano-1H-isoquinoline-2-carboxylate? |
| A: The English name of methyl 1-cyano-1H-isoquinoline-2-carboxylate is methyl 1-cyano-1H-isoquinoline-2-carboxylate. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |