HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736939Erstellt: 27. Oktober 2026
1-Methylpiperidine-4-carboxylic acid
N-Methylisonipecotic acid · 4-Carboxy-1-methylpiperidine · Lasmiditan Impurity 45 Monomer · 1-METHYL-PIPERIDIN-4-CARBOXYLIC ACID · N-METHYLPIPERIDINE-4-CARBOXYLIC ACID · N-METHYL-4-PIPERIDINE CARBOXYLIC ACID · 1-METHYL-PIPERIDINE-4-CARBOXYLIC ACID · 1-methyl-Ppiperidine-4-carboxylic'acid
https://huagongshe.com/de/chemical/2736939
Identifikatoren & physikalische Daten
| CAS No. | 68947-43-3 |
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| Summenformel | C7H13NO2 |
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| Durchschnittliche Molmasse | 143,18 g/mol |
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| Monoisotopische Masse | 143,09462866 g/mol |
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| SMILES | CN1CCC(C(=O)O)CC1 |
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| InChIKey | HCKNAJXCHMACDN-UHFFFAOYSA-N |
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| PubChem CID | 2736939 |
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| EC No. | 691-793-8 |
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| DTXSID | DTXSID50371717 |
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Chemische & physikalische Eigenschaften
| XLogP | -2 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 128 |
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| Siedepunkt | 246.1±33.0 °C(Predicted) |
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| Dichte | 1.103 |
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| Brechungsindex | 1.488 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 3.16±0.20(Predicted) |
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| Farbe | Pale yellow |
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| InChI | InChI=1S/C7H13NO2/c1-8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10) |
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| InChIKey | HCKNAJXCHMACDN-UHFFFAOYSA-N |
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| SMILES | N1(C)CCC(C(O)=O)CC1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Zollcode | 29333990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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