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N-Acetyl-DL-methionin
dl-methionin · N-AC-DL-MET · AC-DL-MET-OH · METHIONAMINE · N-Ac-DL-Met-OH · N-ACETYL-DL-MET · AC-DL-METHIONINE · N-Ac-Dl-Methionine
Identifikatoren & physikalische Daten
| CAS No. | 1115-47-5 |
|---|---|
| Summenformel | C7H13NO3S |
| Durchschnittliche Molmasse | 191,25 g/mol |
| Monoisotopische Masse | 191,06161445 g/mol |
| SMILES | CSCCC(NC(C)=O)C(=O)O |
| InChIKey | XUYPXLNMDZIRQH-UHFFFAOYSA-N |
| PubChem CID | 6180 |
| ChEMBL | CHEMBL45002 |
| ChEBI | CHEBI:132958 |
| EC No. | 214-224-3 |
| DTXSID | DTXSID5037022 |
| Lokaler Name | N-Acetyl-DL-methionin |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 117-119 °C(lit.) |
| Siedepunkt | 453.6±40.0 °C(Predicted) |
| Dichte | 1.2684 (rough estimate) |
| Brechungsindex | 1.6370 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water, ethanol, ethyl acetate. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.50±0.10(Predicted) |
| Farbe | White to Off-White |
| Merck | 14,96 |
| BRN | 1725554 |
| Hauptanwendungen | peptide synthesis |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1 |
| InChIKey | XUYPXLNMDZIRQH-LURJTMIESA-N |
| SMILES | C(O)(=O)[C@H](CCSC)NC(C)=O |
| CAS Datenbank | 1115-47-5(CAS DataBase Reference) |
| EPA chemische Informationen | Methionine, N-acetyl- (1115-47-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.DangerH318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 4 of 6 reports by companies.There is 1 notification provided by 2 of 6 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | N-Acetyl-DL-Methionine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Dam. 1 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29309070 |
| RTECS-Nr. | PD0500000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
N-acetylmethionine is a methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group.It is a conjugate acid of a N-acetylmethioninate.
Verwenden
N-Acetyl-DL-methionine is used as pharmaceutical intermediate, biochemical reagent.