HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methylpiperidin-3-ol
1-METHYLPIPERIDIN-3-OL · NM3PPOL · 1-methyl-3-ol · 1-methyl-3-piperidino · N-METHYL-3-PIPERIDINOL · 1-METHYL-3-PIPERIDINOL · N-Methyl-3-piperidinol 98% · 3-Hydroxy-l-methylpiperidine
Identifikatoren & physikalische Daten
| CAS No. | 3554-74-3 |
|---|---|
| Summenformel | C6H13NO |
| Durchschnittliche Molmasse | 115,17 g/mol |
| Monoisotopische Masse | 115,09971404 g/mol |
| SMILES | CN1CCCC(O)C1 |
| InChIKey | UKANCZCEGQDKGF-UHFFFAOYSA-N |
| PubChem CID | 98016 |
| ChEMBL | CHEMBL21531 |
| EC No. | 222-609-2 |
| DTXSID | DTXSID90883920 |
| Lokaler Name | 1-Methylpiperidin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Siedepunkt | 76-78 °C11 mm Hg(lit.) |
| Dichte | 0.999 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.475 |
| Flammpunkt | 158 °F |
| pKa (Säurekonstante) | 14.95±0.20(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Clear, orange |
| Löslichkeit | Fully misicible in water. |
| BRN | 103017 |
| InChI | InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3 |
| InChIKey | UKANCZCEGQDKGF-UHFFFAOYSA-N |
| SMILES | N1(C)CCCC(O)C1 |
| CAS Datenbank | 3554-74-3(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Piperidinol, 1-methyl-(3554-74-3) |
| EPA chemische Informationen | 3-Piperidinol, 1-methyl- (3554-74-3) |
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 44 reports by companies from 4 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-6/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for:• ;Optimization of Novobiocin scaffold to produce antitumor agents1• ;Formation of carbamates and N-alkylimidazoles2Reactant for synthesis of:• ;Pyridine derivatives as CDK5 inhibitors3• ;Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors4• ;Amino phosphite ligands5• ;Mexiletine enantiomers by nucleophilic aromatic substitution6