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N-Acetylglutaminsure
N-Acetylglutamic acid · N-Acetyl-L-glutamate · n-acetylglutamate · NAcGlu · AC-GLU-OH · N-AC-L-GLU · N-Ac-Glu-OH · Ac-L-Glu-OH
Identifikatoren & physikalische Daten
| CAS No. | 1188-37-0 |
|---|---|
| Summenformel | C7H11NO5 |
| Durchschnittliche Molmasse | 189,17 g/mol |
| Monoisotopische Masse | 189,06372245 g/mol |
| SMILES | CC(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | RFMMMVDNIPUKGG-UHFFFAOYSA-N |
| PubChem CID | 185 |
| ChEMBL | CHEMBL2142890 |
| ChEBI | CHEBI:172431 |
| EC No. | 214-708-4 |
| DTXSID | DTXSID00859595 |
| Lokaler Name | N-Acetylglutaminsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 225 |
| Kosmetika | Skin conditioning |
| Schmelzpunkt | 194-196 °C(lit.) |
| Siedepunkt | 324.41°C (rough estimate) |
| Dichte | 1.4119 (rough estimate) |
| FEMA | 4752 | N-ACETYL GLUTAMATE |
| Brechungsindex | -15 ° (C=1, H2O) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 36g/l (Lit.)2.7 g/100 mL (20 ºC) |
| pKa (Säurekonstante) | 3.45±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| JECFA Number | 2269 |
| BRN | 1727473 |
| Hauptanwendungen | peptide synthesis |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| SMILES | CC(=O)N[C@@H](CCC(O)=O)C(O)=O |
| LogP (Verteilungskoeffizient) | -2.131 (est) |
| CAS Datenbank | 1188-37-0(CAS DataBase Reference) |
| NIST chemische Informationen | N-acetyl-l-glutamic acid(1188-37-0) |
| EPA chemische Informationen | L-Glutamic acid, N-acetyl- (1188-37-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.Not ClassifiedAggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | REACH registered substance: N-acetylglutamic acid (EC: 214-708-4) |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241900 |
| RTECS-Nr. | LZ9725000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Acetyl-L-glutamic Acid is the N-Acetyl analogue of the non-essential amino acid, L-glutamic acid (G596960). N-Acetyl-L-glutamic Acid activates carbamoyl phosphate synthetase in the urea cycle.