HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L-2-Aminoadipic Acid
AAD · (S)-2-AMINOHEXANEDIOIC ACID · H-AAD-OH · L-α-Aminoadipic Acid · (S)-2-Aminoadipic acid · HOMOGLUTAMIC ACID · L-Aad-OH · α-Aminoadipic acid
Identifikatoren & physikalische Daten
| CAS No. | 1118-90-7 |
|---|---|
| Summenformel | C6H11NO4 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,06880783 g/mol |
| SMILES | N[C@@H](CCCC(=O)O)C(=O)O |
| InChIKey | OYIFNHCXNCRBQI-BYPYZUCNSA-N |
| PubChem CID | 92136 |
| ChEMBL | CHEMBL88804 |
| ChEBI | CHEBI:37023 |
| EC No. | 601-134-8 |
| DTXSID | DTXSID801017096 |
Chemische & physikalische Eigenschaften
| XLogP | -3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| Löslichkeit | 2.2 mg/mL1N HCl: 10 mg/mlPBS (pH 7.2): 0.5 mg/mlSoluble in 1N HCl (50 mg/ml) and water (slightly). |
| Schmelzpunkt | 196 - 198 °C203-205 °C (dec.)(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 142.23 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]130.8 Ų [M-H]- |
| Siedepunkt | 287.44°C (rough estimate) |
| Dichte | 1.3482 (rough estimate) |
| Brechungsindex | 1.4230 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.49±0.24(Predicted) |
| Farbe | White |
| BRN | 1724348 |
| InChI | InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | OYIFNHCXNCRBQI-BYPYZUCNSA-N |
| SMILES | C(O)(=O)[C@@H](N)CCCC(O)=O |
| CAS Datenbank | 1118-90-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Gesundheitliche Auswirkungen | Chronically high levels of aminoadipic acid are associated with at least 2 inborn errors of metabolism including: : 2-aminoadipic and 2-oxoadipic aciduria. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224999 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
L-2-Aminoadipic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.