HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Aminoadipinsure
Aminoadipic acid · 2-aminoadipate · DL-a-Aminoadipic acid · (RS)-2 · NSC 46994 · DL-Aad-OH · H-DL-AAD-OH · H-DL-2-AAD-OH
Identifikatoren & physikalische Daten
| CAS No. | 542-32-5 |
|---|---|
| Summenformel | C6H11NO4 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,06880783 g/mol |
| SMILES | NC(CCCC(=O)O)C(=O)O |
| InChIKey | OYIFNHCXNCRBQI-UHFFFAOYSA-N |
| PubChem CID | 469 |
| ChEMBL | CHEMBL433238 |
| ChEBI | CHEBI:37024 |
| EC No. | 208-809-2 |
| DTXSID | DTXSID90862154 |
| Lokaler Name | 2-Aminoadipinsure |
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 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117] |
| Collision Cross Section | 134.6 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]132.11 Ų [M-H]- [CCS Type: DTMethod: stepped-field]134.4 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Schmelzpunkt | 196-198 °C(lit.) |
| Siedepunkt | 287.44°C (rough estimate) |
| Dichte | 1.333 |
| Brechungsindex | 1.4230 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Aqueous Acid (Slightly)Soluble in water (2.2 mg/ml at 20°C), 1 M HCl (50 mg/ml), ethanol (slightly), ether (slightly), and 80% formic acid (25 mg/ml). |
| Aggregatzustand | Powder or Crystalline Powder |
| pKa (Säurekonstante) | 2.14, 4.21, 9.77(at 25℃) |
| Farbe | White to off-white |
| Merck | 14,416 |
| BRN | 1773077 |
| InChI | 1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) |
| InChIKey | OYIFNHCXNCRBQI-UHFFFAOYSA-N |
| SMILES | NC(CCCC(O)=O)C(O)=O |
| CAS Datenbank | 542-32-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (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 |
| RTECS-Nr. | MO1852000 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
DL-2-Aminoadipic acid is a labeled amino acid which is used in chemical research and as pharmaceutical intermediate.