HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 46835621Erstellt: 27. Oktober 2026
tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate
1-Boc-4-cyano-4-Methylpip... · 1-BOC-4-CYANO-4-METHYL-PIPERIDINE · Ert-Butyl 4-Cyano-4-Methylpiperidine-1-Carboxylate · tert-butyl 4-cyano-4-Methylpiperidine-1-carboxylate · 4-Cyano-4-methyl-piperidine-1-carboxylic acid tert-butyl ester · 4-Cyano-4-methylpiperidine-1-carboxylic acid tert-butyl este... · 1-Piperidinecarboxylic acid, 4-cyano-4-methyl-, 1,1-dimethylethyl ester
https://huagongshe.com/de/chemical/46835621
Identifikatoren & physikalische Daten
| CAS No. | 530115-96-9 |
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| Summenformel | C12H20N2O2 |
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| Durchschnittliche Molmasse | 224,3 g/mol |
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| Monoisotopische Masse | 224,15247789 g/mol |
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| SMILES | CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 |
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| InChIKey | VREJUXWEWOVHHU-UHFFFAOYSA-N |
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| PubChem CID | 46835621 |
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| EC No. | 139-914-0 |
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| DTXSID | DTXSID00676502 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 53,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 314 |
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| Siedepunkt | 327.9±35.0 °C(Predicted) |
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| Dichte | 1.05±0.1 g/cm3 (20 ºC 760 Torr) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | white to brown solid |
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| pKa (Säurekonstante) | -3.05±0.40(Predicted) |
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| InChI | InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3 |
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| InChIKey | VREJUXWEWOVHHU-UHFFFAOYSA-N |
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| SMILES | N1(C(OC(C)(C)C)=O)CCC(C#N)(C)CC1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| UN-Transportnummer | UN2811 |
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| Zollcode | 2933399990 |
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