HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamate
Z-Pyrazol · Pyrazol(Z)2 · PYRAZOLE(Z)2 · Pyrazol(Z)2≥ 99% (HPLC) · N,N'-Bis-Z-1-guanylpyrazole · N,N'-Di-Cbz-1H-pyrazole-1-carbo · 1-[N,N'-(Di-Cbz)amidino]pyrazole · N,N'-DI-Z-1H-PYRAZOL-1-CARBAMIDINE
Identifikatoren & physikalische Daten
| CAS No. | 152120-55-3 |
|---|---|
| Summenformel | C20H18N4O4 |
| Durchschnittliche Molmasse | 378,4 g/mol |
| SMILES | O=C(N=C(NC(=O)OCc1ccccc1)n1cccn1)OCc1ccccc1 |
| InChIKey | NRBUVVTTYMTSKM-UHFFFAOYSA-N |
| PubChem CID | 3563804 |
| EC No. | 628-402-7 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 542 |
| Schmelzpunkt | 90-96 °C |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 6.66±0.46(Predicted) |
| Farbe | White to Almost white |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26) |
| InChIKey | NRBUVVTTYMTSKM-UHFFFAOYSA-N |
| SMILES | C(/N1N=CC=C1)(\NC(=O)OCC1C=CC=CC=1)=N\C(=O)OCC1C=CC=CC=1 |
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%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29331990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine is used as pharmaceutical intermediate.