Introduction：Basic information about CAS 13118-10-0|1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride |
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| CAS Number | 13118-10-0 | Molecular Weight | 339.85700 |
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| Density | 1.17g/cm3 | Boiling Point | 434.6ºC at 760mmHg |
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| Molecular Formula | C18H26ClNO3 | Melting Point | / |
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| MSDS | / | Flash Point | 216.7ºC |
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Names
| Name | (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate,hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.17g/cm3 |
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| Boiling Point | 434.6ºC at 760mmHg |
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| Molecular Formula | C18H26ClNO3 |
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| Molecular Weight | 339.85700 |
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| Flash Point | 216.7ºC |
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| Exact Mass | 339.16000 |
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| PSA | 49.77000 |
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| LogP | 3.05160 |
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| Vapour Pressure | 2.52E-08mmHg at 25°C |
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| Index of Refraction | 1.577 |
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| InChIKey | IUFZTNHOGFUUBG-UHFFFAOYSA-N |
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| SMILES | CN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OO7340000
- CHEMICAL NAME :
- Mandelic acid, alpha-cyclopentyl-, 1-methyl-3-pyrrolidinyl ester, hydrochloride
- CAS REGISTRY NUMBER :
- 13118-10-0
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C18-H25-N-O3.Cl-H
- MOLECULAR WEIGHT :
- 339.90
- WISWESSER LINE NOTATION :
- T5NTJ A1 COVXQR&- AL5TJ &GH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 14 ug/kg/D
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis
- REFERENCE :
- CPAJAK Canadian Psychiatric Association Journal. (Ottawa, Ont., Canada) V.1-23, 1956-78. For publisher information, see CJPSDF. Volume(issue)/page/year: 11,S141,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,523,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,523,1960
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Synonyms
| Mandelic acid,1-methyl-3-pyrrolidinyl ester,hydrochloride |
| AHR-376 |
| 1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride |
