1-(Isoquinolin-3-yl)ethanone
1-(Isoquinolin-3-yl)ethanone structure
|
Common Name | 1-(Isoquinolin-3-yl)ethanone | ||
|---|---|---|---|---|
| CAS Number | 91544-03-5 | Molecular Weight | 171.19500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H9NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 1-(Isoquinolin-3-yl)ethanone, Chinese name: 1-异喹啉-3-乙酮, CAS number: 91544-03-5, molecular formula: C11H9NO, molecular weight: 171.19500. 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 | 1-(Isoquinolin-3-yl)ethanone |
|---|---|
| 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 | C11H9NO |
|---|---|
| Molecular Weight | 171.19500 |
| Exact Mass | 171.06800 |
| PSA | 29.96000 |
| LogP | 2.43740 |
| InChIKey | NLMXNLJJYMMQIF-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc2ccccc2cn1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 0 | |
CAS#:26947-41-1
CAS#:111-34-2
CAS#:185950-63-4
CAS#:97674-02-7
CAS#:75-16-1
CAS#:362057-20-3
CAS#:86520-97-0
CAS#:27104-73-0
CAS#:141-78-6
CAS#:917-64-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-isoquinolin-3-ylethanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1-(Isoquinolin-3-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(Isoquinolin-3-yl)ethanone is 29.96000. |
| Q: What is the LogP of 1-(Isoquinolin-3-yl)ethanone? |
| A: LogP of 1-(Isoquinolin-3-yl)ethanone is 2.43740. |
| Q: What is the molecular formula of 1-(Isoquinolin-3-yl)ethanone? |
| A: Molecular formula of 1-(Isoquinolin-3-yl)ethanone is C11H9NO. |
| Q: What is the molecular weight of 1-(Isoquinolin-3-yl)ethanone? |
| A: Molecular weight of 1-(Isoquinolin-3-yl)ethanone is 171.19500. |
| Q: What is the SMILES notation of 1-(Isoquinolin-3-yl)ethanone? |
| A: SMILES notation of 1-(Isoquinolin-3-yl)ethanone is CC(=O)c1cc2ccccc2cn1. |
| Q: What is the CAS number of 1-(Isoquinolin-3-yl)ethanone? |
| A: CAS number of 1-(Isoquinolin-3-yl)ethanone is 91544-03-5. |
| Q: What are the upstream materials of 1-(Isoquinolin-3-yl)ethanone? |
| A: Related upstream materials(CAS) of 1-(Isoquinolin-3-yl)ethanone: 26947-41-1;111-34-2;185950-63-4;97674-02-7;75-16-1;362057-20-3;86520-97-0;27104-73-0;141-78-6;917-64-6. |
| Q: What English synonyms does 1-(Isoquinolin-3-yl)ethanone have? |
| A: English synonyms of 1-(Isoquinolin-3-yl)ethanone: 1-isoquinolin-3-ylethanone. |
| Q: What is the English name of 1-(Isoquinolin-3-yl)ethanone? |
| A: The English name of 1-(Isoquinolin-3-yl)ethanone is 1-(Isoquinolin-3-yl)ethanone. |
| Q: What is the InChIKey of 1-(Isoquinolin-3-yl)ethanone? |
| A: InChIKey of 1-(Isoquinolin-3-yl)ethanone is NLMXNLJJYMMQIF-UHFFFAOYSA-N. |
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. |