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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)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| PubChem CID | 70914 |
| ChEMBL | CHEMBL1234751 |
| ChEBI | CHEBI:17533 |
| DTXSID | DTXSID3046534 |
| 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 |
| Löslichkeit | 52 mg/mLSolubleSparingly soluble (in ethanol)36g/l (Lit.)2.7 g/100 mL (20 ºC) |
| Schmelzpunkt | 199199 - 201 °C194-196 °C(lit.) |
| Physical Description | SolidWhite powder or white crystalsSavoury, cooked roasted |
| Collision Cross Section | 141 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]139.63 Ų [M-H]- [CCS Type: DTMethod: stepped-field]149.63 Ų [M+Na]+ [CCS Type: DT139.03 Ų [M+H]+ [CCS Type: DT141.7 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]143.3 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.4 Ų [M+Na]+ [CCS Type: DT136.9 Ų [M-H]- [CCS Type: DT142.5 Ų [M+Na]+143.5 Ų [M-2H+Na]-137 Ų [M-H]- |
| 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 |
| 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 ClassifiedReported as not meeting GHS hazard criteria by 15 of 16 companies (only 6.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 15 of 16 reports by companies.There is 1 notification provided by 1 of 16 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 | Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Toxizitätsübersicht | The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Glutamic AcidSafe for use in cosmetics, with qualifications |
| 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.