識別子と物理属性
| CAS No. | 7365-45-9 |
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| 分子式 | C8H18N2O4S |
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| 平均分子量 | 238.31 g/mol |
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| 単同位体質量 | 238.09872806 g/mol |
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| SMILES | O=S(=O)(O)CCN1CCN(CCO)CC1 |
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| InChIKey | JKMHFZQWWAIEOD-UHFFFAOYSA-N |
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| PubChem CID | 23831 |
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| ChEMBL | CHEMBL1232545 |
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| ChEBI | CHEBI:42334 |
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| EC No. | 230-907-9 |
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| DTXSID | DTXSID5040382 |
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化学・物理的性質
| XLogP | -4 |
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| 極性表面積 | 89.5 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 6 |
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| 回転可能結合数 | 5 |
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| 重原子数 | 15 |
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| 形式電荷 | 0 |
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| 複雑度 | 267 |
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| 物質分類 | Other Uses -> Biological Buffers |
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| Physical Description | Dry PowderLiquidSolid[Merck Index] White powder[Alfa Aesar MSDS] |
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| Collision Cross Section | 151.1 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID4044458] |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 95.6% (194 of 203) of all reports.Not ClassifiedAggregated GHS information provided per 203 reports by companies from 9 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Chemical: 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13322Hydroxyethyl piperazineethanesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 有害性の概要 | May cause irritation[Alfa Aesar MSDS] See Piperazine and salts. |
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| Hazard Classes and Categories | Not Classified |
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| Protective Action Criteria (PAC) | 30 [mg/m3]330 [mg/m3]2000 [mg/m3] |
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