Introduction：Basic information about CAS 104373-85-5|2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid |
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| CAS Number | 104373-85-5 | Molecular Weight | 235.28200 |
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| Density | 1.22g/cm3 | Boiling Point | 418ºC at 760mmHg |
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| Molecular Formula | C12H17N3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 206.6ºC |
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Names
| Name | 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.22g/cm3 |
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| Boiling Point | 418ºC at 760mmHg |
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| Molecular Formula | C12H17N3O2 |
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| Molecular Weight | 235.28200 |
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| Flash Point | 206.6ºC |
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| Exact Mass | 235.13200 |
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| PSA | 56.67000 |
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| LogP | 0.68120 |
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| Vapour Pressure | 9.77E-08mmHg at 25°C |
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| Index of Refraction | 1.573 |
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| InChIKey | XQYZTEXKRYMSQG-UHFFFAOYSA-N |
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| SMILES | O=C(O)CCN1CCN(c2ccccn2)CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TM2693982
- CHEMICAL NAME :
- 1-Piperazinepropionic acid, 4-(2-pyridinyl)-
- CAS REGISTRY NUMBER :
- 104373-85-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H17-N3-O2
- MOLECULAR WEIGHT :
- 235.32
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1301 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 30,13,1987
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
