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HCID 11020613Erstellt: 4. November 2026
(1R,3S,5R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
EOS-61213 · N-Boc-L-trans-4,5-Methanoproline · N-Boc-L-trans-2-azabicyclo[3.1.0]hexane-3-carboxylic acid · (1R,3S,5R)-2-Boc-2-azabicyclo[3.1.0]hexane-3-carboxylic Acid · (1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo... · (1R,3S,5R)-2-Boc-2-aza-bicyclo[3.1.0]hexane-3-dicarboxylic acid · N-tert-butoxycarbonyl-l-trans-2-azabicyclo 3.1.0 hexane-3-carboxylic acid · (1R,3S,5R)-2-[(tert-Butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxyl+
https://huagongshe.com/de/chemical/11020613
Identifikatoren & physikalische Daten
| CAS No. | 197142-34-0 |
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| Summenformel | C11H17NO4 |
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| Durchschnittliche Molmasse | 227,26 g/mol |
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| Monoisotopische Masse | 227,11575802 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O |
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| InChIKey | VXIIZQXOIDYWBS-PRJMDXOYSA-N |
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| PubChem CID | 11020613 |
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| EC No. | 815-186-6 |
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| DTXSID | DTXSID50452191 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 66,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 333 |
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| Siedepunkt | 355.9±25.0 °C(Predicted) |
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| Dichte | 1.276±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Acetone (Slightly, Sonicated), DMSO (Slightly, Sonicated), Methanol (Slightly, Heated) |
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| pKa (Säurekonstante) | 4.03±0.20(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Pale Yellow |
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| Stabilität | Hygroscopic |
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| InChI | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m1/s1 |
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| InChIKey | VXIIZQXOIDYWBS-PRJMDXOYSA-N |
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| SMILES | [C@]12([H])[C@]([H])(C1)C[C@@H](C(O)=O)N2C(OC(C)(C)C)=O |
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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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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![Molekülstruktur von (1R,3S,5R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid](/img/chemical/11020613.png)