HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69435Erstellt: 26. Oktober 2026
allo-DL-Threonin
DL-ALLO-THREONINE · H-DL-ALLO-THR-OH · allo-DL-threonine · ALLOTHREONINE, DL- · (contains Threonine) · DL-Allothreonine DL-allo-Threonine,98% · allo-DL-Threonine USP/EP/BP · DL-2-AMINO-3-HYDROXYBUTYRIC ACID
https://huagongshe.com/de/chemical/69435
Identifikatoren & physikalische Daten
| CAS No. | 144-98-9 |
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| Summenformel | C4H9NO3 |
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| Durchschnittliche Molmasse | 119,12 g/mol |
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| Monoisotopische Masse | 119,05824315 g/mol |
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| SMILES | C[C@H](O)[C@@H](N)C(=O)O |
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| InChIKey | AYFVYJQAPQTCCC-STHAYSLISA-N |
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| PubChem CID | 69435 |
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| ChEMBL | CHEMBL1232386 |
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| ChEBI | CHEBI:16398 |
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| EC No. | 201-300-6 |
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| DTXSID | DTXSID70859087 |
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| Lokaler Name | allo-DL-Threonin |
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Chemische & physikalische Eigenschaften
| XLogP | -2,9 |
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| Polarare Oberfläche (TPSA) | 83,6 |
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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 | 8 |
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| Formalladung | 0 |
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| Komplexität | 93,3 |
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| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
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| Physical Description | White crystalline solid[Sigma-Aldrich MSDS]Hemihydrate: Solid[Merck Index] White powder |
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| Schmelzpunkt | 256 °C |
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| Siedepunkt | 222.38°C (rough estimate) |
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| Dichte | 1.3126 (rough estimate) |
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| Brechungsindex | 1.4183 (estimate) |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| pKa (Säurekonstante) | 2.19±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| Löslichkeit | almost transparency |
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| InChI | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1 |
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| InChIKey | AYFVYJQAPQTCCC-HRFVKAFMSA-N |
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| SMILES | C(O)(=O)[C@H]([C@@H](O)C)N |
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| CAS Datenbank | 144-98-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 92.2% (214 of 232) of all reports.Not ClassifiedAggregated GHS information provided per 232 reports by companies from 2 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.WarningH302 (90%): Harmful if swallowed [Warning Acute toxicity, oral] |
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| Regulatorische Informationen | Chemical: DL-Threonine |
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| Weitere Sicherheitsinformationen | IMAP assessments - DL-Threonine: Environment tier I assessment |
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| Gefahrenübersicht | Causes muscle contraction or spasticity, dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 5,361 mg/kg)[RTECS] May cause irritation[Sigma-Aldrich MSDS]May cause irritation |
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| Hazard Classes and Categories | Acute Tox. 3 (90%)Not Classified |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29225000 |
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| Sicherheitshinweise (S) | 24/25 |
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