HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid
BOC-ACPC-OH · Boc-ACC-OH · BOC-AC3C-OH · BOC-1, 1-ACCP · Boc-1-aminocycL · BOC-(1)NH-DELTA-OH · BOC-(1)NHCPROPN-OH · RARECHEM AR PA 0007
Identifikatoren & physikalische Daten
| CAS No. | 88950-64-5 |
|---|---|
| Summenformel | C9H15NO4 |
| Durchschnittliche Molmasse | 201,22 g/mol |
| Monoisotopische Masse | 201,10010796 g/mol |
| SMILES | CC(C)(C)OC(=O)NC1(C(=O)O)CC1 |
| InChIKey | DSKCOVBHIFAJRI-UHFFFAOYSA-N |
| PubChem CID | 688396 |
| EC No. | 618-224-8 |
| DTXSID | DTXSID80350893 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 262 |
| Schmelzpunkt | 178 °C |
| Siedepunkt | 347.6±21.0 °C(Predicted) |
| Dichte | 1.21±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.04±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 4430628 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12) |
| InChIKey | DSKCOVBHIFAJRI-UHFFFAOYSA-N |
| SMILES | C1(NC(OC(C)(C)C)=O)(C(O)=O)CC1 |
| CAS Datenbank | 88950-64-5(CAS DataBase Reference) |
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 43 reports by companies from 6 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 | 29242990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn,O |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
1-(Boc-amino)cyclopropanecarboxylic acid is an important organic compound. It is used in the biological field for the synthesis of irreversible inhibitors of tetrapeptide carboxypeptidases, leading to covalent substrate modifications; preparation of combinatorial libraries. It is used in the synthetic field as a pharmaceutical synthesis intermediate.