Introduction：Basic information about CAS 55300-29-3|antrafenine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | antrafenine |
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| CAS Number | 55300-29-3 | Molecular Weight | 588.544 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 648.0±55.0 °C at 760 mmHg |
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| Molecular Formula | C30H26F6N4O2 | Melting Point | / |
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| MSDS | / | Flash Point | 345.7±31.5 °C |
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Names
| Name | 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 648.0±55.0 °C at 760 mmHg |
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| Molecular Formula | C30H26F6N4O2 |
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| Molecular Weight | 588.544 |
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| Flash Point | 345.7±31.5 °C |
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| Exact Mass | 588.195984 |
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| PSA | 57.70000 |
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| LogP | 9.06 |
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| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
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| Index of Refraction | 1.589 |
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| InChIKey | NWGGKKGAFZIVBJ-UHFFFAOYSA-N |
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| SMILES | O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TM0806000
- CHEMICAL NAME :
- Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, N-(7-trifluoromethyl-4- quinolyl)anthranilate
- CAS REGISTRY NUMBER :
- 55300-29-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H26-F6-N4-O2
- MOLECULAR WEIGHT :
- 588.60
- WISWESSER LINE NOTATION :
- T66 BNJ IXFFF EMR BVO2- AT6N DNTJ DR CXFFF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4 gm/kg
- TOXIC EFFECTS :
- Behavioral - analgesia
- 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: 22,554,1979
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Synonyms
| Benzoic acid, 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]-, 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester |
| 2-[4-(a,a,a-trifluoro-m-tolyl)-1-piperazinyl]ethyl-n-(7-trifluoromethyl-4-quinolyl)anthranilate |
| Antrafeninum [INN-Latin] |
| 4-(3-Trifluoromethyl)phenylpiperazineethanol o-(7-trifluoromethyl-4-quinolylamino)benzoate |
| 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate |
| SL 73-033 |
| Stakan |
| antrafenine |
| Benzoic acid,2-((7-(trifluoromethyl)-4-quinolinyl)amino)-,2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester |
| Stakane |
| Antrafenino [INN-Spanish] |
| 2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl 2-{[7-(trifluoromethyl)-4-quinolinyl]amino}benzoate |
| 2-[[7-(Trifluoromethyl)-4-quinolinyl]amino]benzoic Acid 2-[4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl Ester |
| 2-(7-trifluoromethyl-quinolin-4-ylamino)-benzoic acid 2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl ester |
