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(2-Aminoethyl)phosphonsure
2-AMINOETHYLPHOSPHONIC ACID · Ciliatine · 2-AEP · 2-Aminoethyl-phosphonate · 2-Amnoethylphosphonic Acid · 2-Aminoethanephosphonic acid · (2-aminethyl)phosphonic acid · 2-AMinoethylphosphonic acid 99%
Identifikatoren & physikalische Daten
| CAS No. | 2041-14-7 |
|---|---|
| Summenformel | C2H8NO3P |
| Durchschnittliche Molmasse | 125,06 g/mol |
| Monoisotopische Masse | 125,02417975 g/mol |
| SMILES | NCCP(=O)(O)O |
| InChIKey | QQVDJLLNRSOCEL-UHFFFAOYSA-N |
| PubChem CID | 339 |
| ChEMBL | CHEMBL1321977 |
| ChEBI | CHEBI:15573 |
| EC No. | 218-043-0 |
| DTXSID | DTXSID10174362 |
| Lokaler Name | (2-Aminoethyl)phosphonsure |
Chemische & physikalische Eigenschaften
| XLogP | -4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 86,9 |
| Physical Description | Solid |
| Collision Cross Section | 129 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]118.25 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]132.21 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]130.1 Ų [M+H]+ |
| Schmelzpunkt | 296 °C (dec.) (lit.) |
| Siedepunkt | 352.5±44.0 °C(Predicted) |
| Dichte | 1.482±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | water: soluble50mg/mL, clear, colorless |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1: 2.45(+1)pK2: 7.0(0)pK3: 10.8(-1) (25°C) |
| Farbe | White to beige |
| InChI | InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) |
| InChIKey | QQVDJLLNRSOCEL-UHFFFAOYSA-N |
| SMILES | P(CCN)(=O)(O)O |
| CAS Datenbank | 2041-14-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 41 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319000 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Aminoethylphosphonic acid was used as a growth medium for the marine bacterium Roseovarius nubinhibens ISM.