Introduction:Basic information about CAS 115-63-9|HEXOCYCLIUM METHYLSULFATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | HEXOCYCLIUM METHYLSULFATE |
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| CAS Number | 115-63-9 | Molecular Weight | 428.58600 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C21H36N2O5S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol,methyl sulfate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Molecular Formula | C21H36N2O5S |
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| Molecular Weight | 428.58600 |
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| Exact Mass | 428.23400 |
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| PSA | 98.28000 |
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| LogP | 2.91700 |
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| InChIKey | NSILVESQCSUIAJ-UHFFFAOYSA-M |
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| SMILES | COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TM3125000
- CHEMICAL NAME :
- Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethy l-, methyl sulfate
- CAS REGISTRY NUMBER :
- 115-63-9
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C20-H33-N2-O.C-H3-O4-S
- MOLECULAR WEIGHT :
- 428.65
- WISWESSER LINE NOTATION :
- T6K DNTJ A1 A1 DXQ1R&- AL6TJ &WSQO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8900 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01104 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 120 mg/kg
- SEX/DURATION :
- female 9-14 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - physical
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1475,1971
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Synonyms
| Oxoamyl salicylate |
| Hexocyclium metilsulfate |
| Hexocyclium methyl sulfate |
| Traline |
| EINECS 204-097-2 |
| Hexacyclium methyl sulfate |
| Tral |
| Hexocyclium methosulfate |