HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
P1075 · P-1075, 10 mM in DMSO · -3-pyridinyl-guanidine · -(1,1-dimethylpropyl)-N’2-cyano-1-tert-pentyl-3-(3-pyridyl)guanidine · 2-cyano-1-tert-pentyl-3-(3-pyridyl)-guanidin · N-CYANO-N'-(1,1-DIMETHYLPROPYL)-N''-3-PYRIDYLGUANIDINE · n-cyano-n’-(1,1-dimethylpropyl)-n’’-3-pyridinyl-guanidin · N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine
Identifikatoren & physikalische Daten
| CAS No. | 60559-98-0 |
|---|---|
| Summenformel | C12H17N5 |
| Durchschnittliche Molmasse | 231,3 g/mol |
| Monoisotopische Masse | 231,14839556 g/mol |
| SMILES | CCC(C)(C)N=C(NC#N)Nc1cccnc1 |
| InChIKey | HKZNADVVGXKQDL-UHFFFAOYSA-N |
| PubChem CID | 43345 |
| ChEMBL | CHEMBL11458 |
| ChEBI | CHEBI:92004 |
| EC No. | 690-021-7 |
| DTXSID | DTXSID60209335 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 312 |
| Schmelzpunkt | 186-187 °C |
| Siedepunkt | 347.6±34.0 °C(Predicted) |
| Dichte | 1.07±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at RT |
| Löslichkeit | Soluble to 50 mM in ethanol and to 100 mM in DMSO |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.74±0.11(Predicted) |
| Farbe | White to off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H300 |
Anwendungen & Verwendung
Verwenden
N-Cyano-N''-(1,1-dimethylpropyl)-N''''-3-pyridinyl-guanidine is an ATP-sensitive potassium channels activator or opener (KATPCO) by causing relaxation of various isolated animal and human blood vessels.