4-(Methylamino)-3-nitrobenzoic acid
4-(Methylamino)-3-nitrobenzoic acid structure
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Common Name | 4-(Methylamino)-3-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 41263-74-5 | Molecular Weight | 196.160 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 393.7±37.0 °C at 760 mmHg | |
| Molecular Formula | C8H8N2O4 | Melting Point | >300ºC | |
| MSDS | N/A | Flash Point | 191.9±26.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(Methylamino)-3-Nitrobenzoic 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 393.7±37.0 °C at 760 mmHg |
| Melting Point | >300ºC |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.160 |
| Flash Point | 191.9±26.5 °C |
| Exact Mass | 196.048401 |
| PSA | 95.15000 |
| LogP | 2.49 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.662 |
| InChIKey | KSMLIIWEQBYUKA-UHFFFAOYSA-N |
| SMILES | CNc1ccc(C(=O)O)cc1[N+](=O)[O-] |
| Storage condition | Refrigerator, Under Inert Atmosphere |
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 |
|---|---|
| HS Code | 2922499990 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922499990 |
|---|---|
| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human GPR109b receptor transfected in CHOK1 cells assessed as rev...
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 3
External Id: CHEMBL899918
|
|
Name: Agonist activity at human GPR109a receptor transfected in CHOK1 cells at 30 uM assess...
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 2
External Id: CHEMBL899919
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| WNR CVQ FM1 |
| 4-(Methylamino)-3-nitrobenzoic acid |
| 4-Aminomethyl-3-Nitrobenzoic Acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: LogP of 4-(Methylamino)-3-Nitrobenzoic Acid is 2.49. |
| Q: What is the SMILES notation of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: SMILES notation of 4-(Methylamino)-3-Nitrobenzoic Acid is CNc1ccc(C(=O)O)cc1[N+](=O)[O-]. |
| Q: What is the molecular weight of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: Molecular weight of 4-(Methylamino)-3-Nitrobenzoic Acid is 196.160. |
| Q: What is the English name of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: The English name of 4-(Methylamino)-3-Nitrobenzoic Acid is 4-(Methylamino)-3-Nitrobenzoic Acid. |
| Q: What is the polar surface area (PSA) of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: Polar surface area (PSA) of 4-(Methylamino)-3-Nitrobenzoic Acid is 95.15000. |
| Q: What is the boiling point of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: Boiling point of 4-(Methylamino)-3-Nitrobenzoic Acid is 393.7±37.0 °C at 760 mmHg. |
| Q: What are the storage conditions for 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: Storage conditions for 4-(Methylamino)-3-Nitrobenzoic Acid: Refrigerator, Under Inert Atmosphere. |
| Q: What is the CAS number of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: CAS number of 4-(Methylamino)-3-Nitrobenzoic Acid is 41263-74-5. |
| Q: What is the molecular formula of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: Molecular formula of 4-(Methylamino)-3-Nitrobenzoic Acid is C8H8N2O4. |
| Q: What is the InChIKey of 4-(Methylamino)-3-Nitrobenzoic Acid? |
| A: InChIKey of 4-(Methylamino)-3-Nitrobenzoic Acid is KSMLIIWEQBYUKA-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. |
| Henan Tianfu Chemical Co., Ltd. |