Introduction：Basic information about CAS 86819-20-7|4-[1-dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-[1-dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride |
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| CAS Number | 86819-20-7 | Molecular Weight | 463.99400 |
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| Density | / | Boiling Point | 576.9ºC at 760 mmHg |
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| Molecular Formula | C25H34ClNO5 | Melting Point | / |
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| MSDS | / | Flash Point | 302.7ºC |
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Names
| Name | 4-[1-dimethylamino-3-[2-[2-(3-ethylphenyl)ethyl]phenoxy]propan-2-yl]ox y-4-oxo-butanoic acid hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 576.9ºC at 760 mmHg |
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| Molecular Formula | C25H34ClNO5 |
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| Molecular Weight | 463.99400 |
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| Flash Point | 302.7ºC |
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| Exact Mass | 463.21300 |
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| PSA | 76.07000 |
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| LogP | 4.55320 |
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| InChIKey | FUGMCDMGVDVROU-UHFFFAOYSA-N |
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| SMILES | CCc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1.Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EJ9988000
- CHEMICAL NAME :
- Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethy l)phenoxy)methyl) ethyl) ester, hydrochloride
- CAS REGISTRY NUMBER :
- 86819-20-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C24-H31-N-O6.Cl-H
- MOLECULAR WEIGHT :
- 466.02
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0072942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 330 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: 33,1818,1990
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Synonyms
| Mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl)succinate HCl |
