HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tricyclo(3.3.1.13,7)decane-1-carboxamide
OTAVA-BB BB5030040657 · SALOR-INT L496057-1EA · LABOTEST-BB LT00007835 · 1-Adamantyl-carboxamide · 1-ADAMANTANECARBOXAMIDE · Adamantane Impurity 14 · ADAMANTANE-1-CARBOXAMIDE · 1-Adamantanecarboxamide,98%
Identifikatoren & physikalische Daten
| CAS No. | 5511-18-2 |
|---|---|
| Summenformel | C11H17NO |
| Durchschnittliche Molmasse | 179,26 g/mol |
| Monoisotopische Masse | 179,13101416 g/mol |
| SMILES | NC(=O)C12CC3CC(CC(C3)C1)C2 |
| InChIKey | CKBZJTAMRPPVSR-UHFFFAOYSA-N |
| PubChem CID | 21686 |
| ChEMBL | CHEMBL2041315 |
| EC No. | 640-514-8 |
| DTXSID | DTXSID30203628 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 218 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 188-190 °C(lit.) |
| Siedepunkt | 311.8°C (rough estimate) |
| Dichte | 1.0020 (rough estimate) |
| Brechungsindex | 1.5065 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 16.85±0.20(Predicted) |
| Farbe | White |
| BRN | 2047887 |
| InChI | 1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)/t7-,8+,9-,11- |
| InChIKey | CKBZJTAMRPPVSR-KJZNFTALSA-N |
| SMILES | NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |
| CAS Datenbank | 5511-18-2(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 2 reports by companies from 2 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 |
| RTECS-Nr. | AU4452000 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reproduction of Sindbis virus strains sensitive and resistant to 1-adamantanecarboxamide