HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1052Erstellt: 26. Oktober 2026
Pyridoxamin
Pyridoxylamine · Pyridorin · PyridoxaMine-d4 · pyridoxamine USP/EP/BP · Pyridoxylamine, 10 mM in DMSO · 4-(aminomethyl)-2-methyl-5-methylol-pyridin-3-ol · 4-Aminomethyl-5-hydroxy-6-methyl-3-pyridinemethanol · inhibit,Inhibitor,Pyridoxylamine,Endogenous Metabolite
https://huagongshe.com/de/chemical/1052
Identifikatoren & physikalische Daten
| CAS No. | 85-87-0 |
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| Summenformel | C8H12N2O2 |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,08987763 g/mol |
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| SMILES | Cc1ncc(CO)c(CN)c1O |
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| InChIKey | NHZMQXZHNVQTQA-UHFFFAOYSA-N |
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| PubChem CID | 1052 |
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| ChEMBL | CHEMBL593019 |
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| ChEBI | CHEBI:16410 |
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| EC No. | 201-640-5 |
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| DTXSID | DTXSID6046929 |
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| Lokaler Name | Pyridoxamin |
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Chemische & physikalische Eigenschaften
| XLogP | -1 |
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| Polarare Oberfläche (TPSA) | 79,4 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 143 |
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| Löslichkeit | 815 mg/mLDMSO (Slightly), Methanol (Slightly) |
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| Physical Description | Solid |
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| Ionization Efficiency | Positive2.962.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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| Dissociation Constants | 10.34 |
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| Kovats Retention Index | 2000 |
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| Collision Cross Section | 140.12 Ų [M-H]- [CCS Type: DTMethod: stepped-field]135.79 Ų [M+H]+ [CCS Type: DT148.49 Ų [M+Na]+ [CCS Type: DT144.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]133.9 Ų [M-H]- [CCS Type: DT133.7 Ų [M+H]+ [CCS Type: DT134 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]130 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]134.4 Ų [M+H]+145.7 Ų [M+Na]+136.4 Ų [M-H]- |
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| Schmelzpunkt | 193-193.5 °C |
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| Siedepunkt | 460.1±40.0 °C(Predicted) |
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| Dichte | 1.282±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 9.98±0.10(Predicted) |
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| Farbe | Pale Yellow |
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| Stabilität | Hygroscopic |
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Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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