Introduction：Basic information about CAS 33522-80-4|2-(benzylamino)nicotinic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(benzylamino)nicotinic acid |
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| CAS Number | 33522-80-4 | Molecular Weight | 228.247 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 426.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C13H12N2O2 | Melting Point | / |
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| MSDS | / | Flash Point | 211.6±25.9 °C |
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Names
| Name | 2-(benzylamino)pyridine-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 426.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C13H12N2O2 |
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| Molecular Weight | 228.247 |
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| Flash Point | 211.6±25.9 °C |
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| Exact Mass | 228.089874 |
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| PSA | 62.22000 |
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| LogP | 3.22 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.668 |
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| InChIKey | AHAACQWBYCPTNV-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cccnc1NCc1ccccc1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QT0840000
- CHEMICAL NAME :
- Nicotinic acid, 2-(benzylamino)-
- CAS REGISTRY NUMBER :
- 33522-80-4
- BEILSTEIN REFERENCE NO. :
- 0479775
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H12-N2-O2
- MOLECULAR WEIGHT :
- 228.27
- WISWESSER LINE NOTATION :
- T6NJ BM1R& CVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 474 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 26,844,1971
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933399090 |
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Customs
| HS Code | 2933399090 |
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| 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% |
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Synonyms
| 2-(Phenylmethylamino)Pyridine-3-Carboxylic Acid |
| 3-pyridinecarboxylic acid, 2-[(phenylmethyl)amino]- |
| F2135-0897 |
| 2-(benzylamino)nicotinic acid |
| Nicotinic acid,2-(benzylamino) |
| S 216 |
| 2-(3-CHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXALDEHYDE |
| benzylaminonicotinicacid |
| 2-[benzylamino]pyridine-3-carboxylic acid |
