HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tpmpa
TPMPA · tpmpa hydrate · MFUKVPOVVKKLRQ-UHFFFAOYSA-N · (1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid · 3,6-dihydro-2H-pyridin-1-ylium-4-yl(methyl)phosphinate · Phosphinic acid, P-methyl-P-(1,2,3,6-tetrahydro-4-pyridinyl)- · (1,2,5,6-TETRAHYDROPYRIDIN-4-YL)METHYLPHOSPHINIC ACID HYDRATE
Identifikatoren & physikalische Daten
| CAS No. | 182485-36-5 |
|---|---|
| Summenformel | C6H12NO2P |
| Durchschnittliche Molmasse | 161,14 g/mol |
| Monoisotopische Masse | 161,06056562 g/mol |
| SMILES | CP(=O)(O)C1=CCNCC1 |
| InChIKey | MFUKVPOVVKKLRQ-UHFFFAOYSA-N |
| PubChem CID | 5521 |
| ChEMBL | CHEMBL397209 |
| DTXSID | DTXSID801017153 |
Chemische & physikalische Eigenschaften
| XLogP | -3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 200 |
| Löslichkeit | Soluble to 100 mMH2O: 16 mg/mLSoluble to 100 mM in water |
| Schmelzpunkt | 252-254° |
| Siedepunkt | 417.2±45.0 °C(Predicted) |
| Dichte | 1.20±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at RT |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 1.97±0.20(Predicted) |
| Farbe | white or off-white |
| InChI | 1S/C6H12NO2P.H2O/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)1H2 |
| InChIKey | GXVWAQPRAQORGS-UHFFFAOYSA-N |
| SMILES | [H]O[H].CP([O-])(=O)C1=CC[NH2+]CC1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid hydrate has also been used as γ-aminobutyric acid C (GABAc) blocker in retinal ganglion cells.