HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Aminopropylphosphonic acid
NSC-133832 · TIMTEC-BB SBB004184 · aminopropylphosphonate · 3-AMinopropylphosphonic · 3-Aminopropyl-phosphonate · 3-AMINOPROPYLPHOSPHONIC ACID · 3-aminopropanephosphonic acid · 3-AMINOPROPYLPHOSPHONIC ACID 97%
Identifikatoren & physikalische Daten
| CAS No. | 13138-33-5 |
|---|---|
| Summenformel | C3H10NO3P |
| Durchschnittliche Molmasse | 139,09 g/mol |
| Monoisotopische Masse | 139,03982981 g/mol |
| SMILES | NCCCP(=O)(O)O |
| InChIKey | GSZQTIFGANBTNF-UHFFFAOYSA-N |
| PubChem CID | 97587 |
| ChEMBL | CHEMBL286077 |
| ChEBI | CHEBI:142993 |
| EC No. | 625-723-4 |
| DTXSID | DTXSID50157018 |
Chemische & physikalische Eigenschaften
| XLogP | -4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 98,7 |
| Schmelzpunkt | 294 °C (dec.)(lit.) |
| Siedepunkt | 343.0±44.0 °C(Predicted) |
| Dichte | 1.378±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMF: 5 mg/mlDMSO: 2 mg/mlEthanol: 30 mg/mlEthanol:PBS (pH 7.2) (1:3): 0.25 mg/mlsoluble |
| pKa (Säurekonstante) | 2.11±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white to faintly greenish |
| InChI | InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7) |
| InChIKey | GSZQTIFGANBTNF-UHFFFAOYSA-N |
| SMILES | P(CCCN)(=O)(O)O |
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 41 reports by companies from 4 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 | 29310099 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Aminopropylphosphonic acid was used as a selective antagonist of GABA(C) receptor.