Identifikatoren & physikalische Daten
| CAS No. | 461-05-2 |
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| Summenformel | C7H16ClNO3 |
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| Durchschnittliche Molmasse | 197,66 g/mol |
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| Monoisotopische Masse | 197,0818711 g/mol |
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| SMILES | C[N+](C)(C)CC(O)CC(=O)O.[Cl-] |
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| InChIKey | JXXCENBLGFBQJM-UHFFFAOYSA-N |
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| PubChem CID | 5970 |
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| ChEMBL | CHEMBL1439419 |
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| EC No. | 200-305-0 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 57,5 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| Löslichkeit | >29.6 [ug/mL] (The mean of the results at pH 7.4) |
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| Collision Cross Section | 132.9 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 13.8% (8 of 58) of reports.WarningH315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (82.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 8 of 58 reports by companies.There are 6 notifications provided by 50 of 58 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Skin Irrit. 2 (86.2%)Eye Irrit. 2 (86.2%)STOT SE 3 (82.8%)Not Classified |
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