Introduction：Basic information about CAS 500-55-0|8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate |
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| CAS Number | 500-55-0 | Molecular Weight | 271.354 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 389.1±42.0 °C at 760 mmHg |
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| Molecular Formula | C17H21NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 136.5±18.8 °C |
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Names
| Name | (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 389.1±42.0 °C at 760 mmHg |
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| Molecular Formula | C17H21NO2 |
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| Molecular Weight | 271.354 |
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| Flash Point | 136.5±18.8 °C |
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| Exact Mass | 271.157227 |
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| PSA | 29.54000 |
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| LogP | 3.22 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.572 |
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| InChIKey | WPUIZWXOSDVQJU-XYPWUTKMSA-N |
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| SMILES | C=C(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- YM4025000
- CHEMICAL NAME :
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester)
- CAS REGISTRY NUMBER :
- 500-55-0
- BEILSTEIN REFERENCE NO. :
- 0085429
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C17-H21-N-O2
- MOLECULAR WEIGHT :
- 271.39
- WISWESSER LINE NOTATION :
- T56 A ANTJ A1 GOVYR&U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,117,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10400 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB85-203644
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Safety Information
| Risk Phrases | 26/28 |
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| RIDADR | UN 1544 |
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| HS Code | 2933990090 |
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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
| Apohyoscyamine |
| atropic acid tropane-3endo-yl ester |
| Atropamin |
| Apoatropin |
| Atropasaeure-tropan-3endo-ylester |
| Atropyltropeine |
| Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester |
| Propenoic acid, 2-phenyl-, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester |
| 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester |
| 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate |
| Apohyoscyamin |
| Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo- |
| Tropine,atropate (ester) |
| Apoatropine |
| Atropamine |
