Identifikatoren & physikalische Daten
| CAS No. | 15214-89-8 |
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| Summenformel | C7H13NO4S |
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| Durchschnittliche Molmasse | 207,25 g/mol |
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| Monoisotopische Masse | 207,0565289 g/mol |
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| SMILES | C=CC(=O)NC(C)(C)CS(=O)(=O)O |
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| InChIKey | XHZPRMZZQOIPDS-UHFFFAOYSA-N |
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| PubChem CID | 65360 |
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| ChEMBL | CHEMBL1907040 |
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| ChEBI | CHEBI:166476 |
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| EC No. | 239-268-0 |
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| DTXSID | DTXSID5027770 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 91,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 299 |
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| Schmelzpunkt | 185.5 - 186 °C |
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| Physical Description | LiquidLarge CrystalsOther SolidDry Powder |
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| Collision Cross Section | 141.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5027770] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (9 of 516) of reports.DangerH302+H332 (13%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 516 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- 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: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15200 |
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| Hazard Classes and Categories | Acute Tox. 4 (97.3%) |
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