HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 595Erstellt: 23. Oktober 2026
2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
https://huagongshe.com/de/chemical/595
Identifikatoren & physikalische Daten
| CAS No. | 56-89-3 |
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| Summenformel | C6H12N2O4S2 |
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| Durchschnittliche Molmasse | 240,3 g/mol |
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| Monoisotopische Masse | 240,02384886 g/mol |
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| SMILES | NC(CSSCC(N)C(=O)O)C(=O)O |
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| InChIKey | LEVWYRKDKASIDU-UHFFFAOYSA-N |
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| PubChem CID | 595 |
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| ChEMBL | CHEMBL366563 |
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| ChEBI | CHEBI:17376 |
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| EC No. | 213-094-5 |
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| DTXSID | DTXSID50859005 |
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Chemische & physikalische Eigenschaften
| XLogP | -6,3 |
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| Polarare Oberfläche (TPSA) | 177 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 192 |
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| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
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| Lebensmittelzusatzstoffe | DOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food |
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| Physical Description | Solid[Merck Index] Off-white solid[Acros Organics MSDS] |
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| Collision Cross Section | 150.71 Ų [M+K]+ [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 80% (4 of 5) of all reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Gefahrenübersicht | An irritantHarmful by ingestion[Acros Organics MSDS] |
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| Hazard Classes and Categories | Acute Tox. 4 (20%) |
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