Introduction：Basic information about CAS 5733-86-8|1-Benzyl-2-oxopyrrolidine-4-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Benzyl-2-oxopyrrolidine-4-carboxylic acid |
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| CAS Number | 5733-86-8 | Molecular Weight | 219.236 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 471.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C12H13NO3 | Melting Point | 144 °C |
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| MSDS | / | Flash Point | 238.8±28.7 °C |
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Names
| Name | 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic 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 | 471.3±45.0 °C at 760 mmHg |
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| Melting Point | 144 °C |
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| Molecular Formula | C12H13NO3 |
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| Molecular Weight | 219.236 |
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| Flash Point | 238.8±28.7 °C |
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| Exact Mass | 219.089539 |
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| PSA | 57.61000 |
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| LogP | 0.64 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.604 |
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| InChIKey | VYKQDWPBYULGPF-UHFFFAOYSA-N |
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| SMILES | O=C(O)C1CC(=O)N(Cc2ccccc2)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UY0686500
- CHEMICAL NAME :
- 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-
- CAS REGISTRY NUMBER :
- 5733-86-8
- BEILSTEIN REFERENCE NO. :
- 0189394
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H13-N-O3
- MOLECULAR WEIGHT :
- 219.26
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 26,75,1974
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933790090 |
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Customs
| HS Code | 2933790090 |
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| Summary | 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
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Synonyms
| 1-benzyl-5-oxopyrrolidine-3-carboxylic acid |
| 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid |
| 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)- |
| 1-Benzyl-2-oxopyrrolidine-4-carboxylic acid |
| MFCD00085749 |
