HuagongsheHuagongshe Chemistry Print Report · For research reference only
Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate
Potassium (2-(((benzyloxy) · [4-(butanoylamino)phenyl]-trifluoroboranuide · Potassium [2-(Cbz-amino)ethyl]trifluoroborate · trifluoro-[2-(phenylmethoxycarbonylamino)ethyl]boranuide · Potassium [2-(benzyloxycarbonylamino)ethyl] Trifluorborate · Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate · Potassium [2-(benzyloxycarbonylamino)ethyl] trifluoroborate · POTASSIUM
![Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate molecular structure](/img/chemical/49761741.png)
Identifiers & Physical Properties
| CAS No. | 926280-84-4 |
|---|---|
| Molecular formula | C10H12BF3KNO2 |
| Average molar mass | 285.11 g/mol |
| Monoisotopic mass | 285.05502536 g/mol |
| SMILES | O=C(NCC[B-](F)(F)F)OCc1ccccc1.[K+] |
| InChIKey | STXOIKJBESFMEO-UHFFFAOYSA-N |
| PubChem CID | 49761741 |
| DTXSID | DTXSID70678472 |
Chemical & Physical Properties
| Topological polar surface area | 38.3 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 248 |
| Melting point | >195 °C |
| Storage conditions | 2-8°C, sealed storage, away from moisture |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C10H12BF3NO2.K/c12-11(13,14)6-7-15-10(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)/q-1+1 |
| InChIKey | STXOIKJBESFMEO-UHFFFAOYSA-N |
| SMILES | [B-](F)(F)(F)CCNC(OCC1=CC=CC=C1)=O.[K+] |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
| Customs code | 2931900090 |
Safety & Regulations
| Customs code | 2931900090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302 |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
Applications & Uses
Uses
Potassium [2-(Benzyloxycarbonylamino)ethyl] Trifluorborate is used in preparation of oxopyridinylalkanamides as human integrin α4β7 inhibitors.