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1,2,2,6,6-Pentamethylpiperidin-4-ol
Pentamethylpiperidinol · 1,2,2,6,6-Pentamethylpiperidin-4-ol · HOPEMP · NSC 364075 · METHYL-TAA-OL · Pentamethylpyridinol · 1,2,2,6,6-Pentamethy · 5-MethylpiperidineAlcohol
Identifikatoren & physikalische Daten
| CAS No. | 2403-89-6 |
|---|---|
| Summenformel | C10H21NO |
| Durchschnittliche Molmasse | 171,28 g/mol |
| Monoisotopische Masse | 171,16231429 g/mol |
| SMILES | CN1C(C)(C)CC(O)CC1(C)C |
| InChIKey | NWHNXXMYEICZAT-UHFFFAOYSA-N |
| PubChem CID | 75472 |
| ChEMBL | CHEMBL3186101 |
| EC No. | 219-292-8 |
| DTXSID | DTXSID3044411 |
| Lokaler Name | 1,2,2,6,6-Pentamethylpiperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 157 |
| Collision Cross Section | 136.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID3044411] |
| Schmelzpunkt | 72-76 °C |
| Siedepunkt | 238 °C |
| Dichte | 0.967 |
| Dampfdruck | 0.845Pa at 25℃ |
| Brechungsindex | 1.4621 (estimate) |
| Flammpunkt | 118 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Flakes |
| pKa (Säurekonstante) | 14.93±0.60(Predicted) |
| Farbe | Light yellow |
| Löslichkeit | 4.8 g/100 mL (20 ºc) |
| BRN | 1498 |
| InChI | 1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3 |
| InChIKey | NWHNXXMYEICZAT-UHFFFAOYSA-N |
| SMILES | CN1C(C)(C)CC(O)CC1(C)C |
| LogP (Verteilungskoeffizient) | 1.15 at 25℃ |
| CAS Datenbank | 2403-89-6(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Piperidinol, 1,2,2,6,6-pentamethyl- (2403-89-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (12 of 269) of reports.DangerH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 269 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/123924-Piperidinol, 1,2,2,6,6-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (95.2%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3261 - class 8 - PG 1 - EHS - Corrosive solid, acidic, organic, n.o.s., HI: all |
| Zollcode | 29333990 |
| R-Sätze (R) | 43-34-22-51/53 |
| Gefahrensymbole | Xi,C,N,Xn |
| Sicherheitshinweise (S) | 36/37-45-36/37/39-26-61 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1 |
Anwendungen & Verwendung
Verwenden
1,2,2,6,6-Pentamethyl-4-piperidinol is used in the synthesis of PDGFR kinase inhibitors. Also, it can be applied to the preparation of a new diol-functionalized amine light stabilizer.