2-Acetylaminoisonicotinic acid
2-Acetylaminoisonicotinic acid structure
|
Common Name | 2-Acetylaminoisonicotinic acid | ||
|---|---|---|---|---|
| CAS Number | 54221-95-3 | Molecular Weight | 180.16100 | |
| Density | 1.404g/cm3 | Boiling Point | 585.3ºC at 760mmHg | |
| Molecular Formula | C8H8N2O3 | Melting Point | 286-290ºC | |
| MSDS | Chinese USA | Flash Point | 307.8ºC | |
Summary: 2-Acetylaminoisonicotinic acid (Chinese name: 2-乙酰基氨基异烟酸), with molecular formula C8H8N2O3 and molecular weight 180.16100. Its CAS number is 54221-95-3, and the density is 1.404g/cm³ with a melting point of 286-290ºC. 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 | 2-Acetylaminoisonicotinic 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 | 1.404g/cm3 |
|---|---|
| Boiling Point | 585.3ºC at 760mmHg |
| Melting Point | 286-290ºC |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.16100 |
| Flash Point | 307.8ºC |
| Exact Mass | 180.05300 |
| PSA | 79.29000 |
| LogP | 0.81120 |
| Index of Refraction | 1.628 |
| InChIKey | VNQIEKXUBYBTPS-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1cc(C(=O)O)ccn1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| RIDADR | NONH for all modes of transport |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~42%
2-Acetylaminois... CAS#:54221-95-3 |
| Literature: MERCKLE GMBH Patent: EP1894925 A1, 2008 ; Location in patent: Page/Page column 14; 41 ; |
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~%
2-Acetylaminois... CAS#:54221-95-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 23 p. 5978 - 5981 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 10 | |
CAS#:14436-36-3
CAS#:105250-17-7
CAS#:13362-30-6
CAS#:13362-28-2
CAS#:13538-42-6
CAS#:6937-03-7
CAS#:666861-79-6
CAS#:84487-09-2
CAS#:98953-21-0
CAS#:452056-80-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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.
| 2-acetamidopyridine-4-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-Acetylaminoisonicotinic acid? |
| A: The English name of 2-Acetylaminoisonicotinic acid is 2-Acetylaminoisonicotinic acid. |
| Q: What is the polar surface area (PSA) of 2-Acetylaminoisonicotinic acid? |
| A: Polar surface area (PSA) of 2-Acetylaminoisonicotinic acid is 79.29000. |
| Q: What English synonyms does 2-Acetylaminoisonicotinic acid have? |
| A: English synonyms of 2-Acetylaminoisonicotinic acid: 2-acetamidopyridine-4-carboxylic acid. |
| Q: What is the boiling point of 2-Acetylaminoisonicotinic acid? |
| A: Boiling point of 2-Acetylaminoisonicotinic acid is 585.3ºC at 760mmHg. |
| Q: What is the molecular formula of 2-Acetylaminoisonicotinic acid? |
| A: Molecular formula of 2-Acetylaminoisonicotinic acid is C8H8N2O3. |
| Q: What is the LogP of 2-Acetylaminoisonicotinic acid? |
| A: LogP of 2-Acetylaminoisonicotinic acid is 0.81120. |
| Q: What are the downstream products of 2-Acetylaminoisonicotinic acid? |
| A: Related downstream products(CAS) of 2-Acetylaminoisonicotinic acid: 14436-36-3;105250-17-7;13362-30-6;13362-28-2;13538-42-6;6937-03-7;666861-79-6;84487-09-2;98953-21-0;452056-80-3. |
| Q: What is the SMILES notation of 2-Acetylaminoisonicotinic acid? |
| A: SMILES notation of 2-Acetylaminoisonicotinic acid is CC(=O)Nc1cc(C(=O)O)ccn1. |
| Q: What is the molecular weight of 2-Acetylaminoisonicotinic acid? |
| A: Molecular weight of 2-Acetylaminoisonicotinic acid is 180.16100. |
| Q: What is the CAS number of 2-Acetylaminoisonicotinic acid? |
| A: CAS number of 2-Acetylaminoisonicotinic acid is 54221-95-3. |
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. |