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3,5-Dimethylpiperidin
35LPT · 3,5-LUPETIDINE · 3,5-Lupeptidine · AKOS BBS-00003678 · DIMETHYLPIPERIDINE · 3,5-Dimethylpiperidi · 3,5-DIMETHYLPIPERDINE · 3,5-dimethyl-piperidin
Identifikatoren & physikalische Daten
| CAS No. | 35794-11-7 |
|---|---|
| Summenformel | C7H15N |
| Durchschnittliche Molmasse | 113,2 g/mol |
| Monoisotopische Masse | 113,12044948 g/mol |
| SMILES | CC1CNCC(C)C1 |
| InChIKey | IDWRJRPUIXRFRX-UHFFFAOYSA-N |
| PubChem CID | 118259 |
| EC No. | 252-730-6 |
| DTXSID | DTXSID80865790 |
| Lokaler Name | 3,5-Dimethylpiperidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62,8 |
| Physical Description | Liquid |
| Siedepunkt | 144 °C(lit.) |
| Dichte | 0.853 g/mL at 25 °C(lit.) |
| Dampfdruck | 6.47hPa at 25℃ |
| Brechungsindex | n20/D 1.4454(lit.) |
| Flammpunkt | 91 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.52±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| BRN | 102638 |
| InChI | InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3 |
| InChIKey | IDWRJRPUIXRFRX-UHFFFAOYSA-N |
| SMILES | N1CC(C)CC(C)C1 |
| LogP (Verteilungskoeffizient) | 2.02 |
| CAS Datenbank | 35794-11-7(CAS DataBase Reference) |
| NIST chemische Informationen | Piperidine, 3,5-dimethyl-(35794-11-7) |
| EPA chemische Informationen | Piperidine, 3,5-dimethyl- (35794-11-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Piperidine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20777 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 16-26-36/37/39-37/39-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5