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D,L-Asparaginmonohydrat
DL-Asn · DL-ASPARAGINE · ASPARAGINE · h-dl-asn.h · DL-Asn.H2O · H-DL-Asn-OH · DL-Aspartamine · Asparagine,99%
Identifikatoren & physikalische Daten
| CAS No. | 3130-87-8 |
|---|---|
| Summenformel | C4H8N2O3 |
| Durchschnittliche Molmasse | 132,12 g/mol |
| Monoisotopische Masse | 132,05349212 g/mol |
| SMILES | NC(=O)CC(N)C(=O)O |
| InChIKey | DCXYFEDJOCDNAF-UHFFFAOYSA-N |
| PubChem CID | 236 |
| ChEBI | CHEBI:22653 |
| DTXSID | DTXSID30859927 |
| Lokaler Name | D,L-Asparaginmonohydrat |
Chemische & physikalische Eigenschaften
| XLogP | -3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 106 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 134 |
| Physical Description | Monohydrate: White crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 220 °C (dec.)(lit.) |
| Siedepunkt | 438.0±40.0 °C(Predicted) |
| Dichte | 1.404±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Room Temperature |
| Löslichkeit | Aqueous Acid (Slightly), Water (Slightly)soluble |
| pKa (Säurekonstante) | 2.17(at 20℃) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White |
| BRN | 6234992 |
| Hauptanwendungen | peptide synthesis |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCESKIN CONDITIONINGHAIR CONDITIONINGANTISTATIC |
| InChI | 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)1H2 |
| InChIKey | RBMGJIZCEWRQES-UHFFFAOYSA-N |
| SMILES | O.NC(CC(N)=O)C(O)=O |
| LogP (Verteilungskoeffizient) | -1.880 (est) |
| CAS Datenbank | 3130-87-8(CAS DataBase Reference) |
| EPA chemische Informationen | Asparagine (3130-87-8) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: DL-Asparagine |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - DL-Asparagine: Environment tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
DL-asparagine is a racemic mixture of the non-essential amino acids, L and D-aparagine. It is generally used in growth-media for bacteria-growth. DL-Asparagine monohydrate can also be used to synthesize other salts such as DL-asparaginium perchlorate, DL-asparaginium nitrate and dimethyl DL-aspartate.
Herstellung & Synthese
synthetische
DL-Asparagine monohydrate was synthesized by dissolving maleic anhydride in 1,4-dioxane solution and refluxing with benzylamine after ammonolysis, followed by catalytic hydrogenation.