HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 557Erstellt: 25. Oktober 2026
1-Methylpyrrolidine-2-carboxylic acid
proline, 1-methyl- · N-methyl DL-proline · 1-Methyl-DL-proline · DL-Proline, 1-methyl- · 1-methylproline(SALTDATA: HCl) · 1-Methylpyrrolidine-2-carboxylic acid
https://huagongshe.com/de/chemical/557
Identifikatoren & physikalische Daten
| CAS No. | 68078-09-1 |
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| Summenformel | C6H11NO2 |
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| Durchschnittliche Molmasse | 129,16 g/mol |
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| Monoisotopische Masse | 129,07897859 g/mol |
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| SMILES | CN1CCCC1C(=O)O |
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| InChIKey | CWLQUGTUXBXTLF-UHFFFAOYSA-N |
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| PubChem CID | 557 |
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| EC No. | 836-213-8 |
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| DTXSID | DTXSID10274275 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,9 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 124 |
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| Schmelzpunkt | 116 °C |
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| Siedepunkt | 227.1±33.0 °C(Predicted) |
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| Dichte | 1.153±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 2.37±0.20(Predicted) |
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| InChI | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 |
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| InChIKey | CWLQUGTUXBXTLF-YFKPBYRVSA-N |
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| SMILES | C(O)(=O)[C@@H]1CCCN1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2933998090 |
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