HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 736802Erstellt: 26. Oktober 2026
(1-Benzylpiperidin-4-yl)methanol
(1-BENZYLPIPERIDIN-4-YL)METHANOL · 6X-0704 · EC-000.1863 · MFCD13250103 · Oprea1_527183 · AE-641/14044007 · BUTTPARK 27\04-75 · RSSYY(Iberdomide)-1
https://huagongshe.com/de/chemical/736802
Identifikatoren & physikalische Daten
| CAS No. | 67686-01-5 |
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| Summenformel | C13H19NO |
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| Durchschnittliche Molmasse | 205,3 g/mol |
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| Monoisotopische Masse | 205,14666423 g/mol |
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| SMILES | OCC1CCN(Cc2ccccc2)CC1 |
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| InChIKey | FLQPYEOKVZYXRL-UHFFFAOYSA-N |
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| PubChem CID | 736802 |
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| ChEMBL | CHEMBL4529341 |
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| EC No. | 614-102-3 |
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| DTXSID | DTXSID60353105 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 23,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 169 |
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| Siedepunkt | 135-138°C (0.2 mmHg) |
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| Dichte | 1.056±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 14.94±0.10(Predicted) |
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| InChI | InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2 |
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| InChIKey | FLQPYEOKVZYXRL-UHFFFAOYSA-N |
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| SMILES | N1(CC2=CC=CC=C2)CCC(CO)CC1 |
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| CAS Datenbank | 67686-01-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (33.3%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 25 |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 24/25-45 |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 Oral |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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