1-Methylpiperidin-4-ol
4-Piperidinol, 1-methyl-
Grundinformationen
- CAS
106-52-5- Standard-SMILES
CN1CCC(O)CC1- InChIKey
BAUWRHPMUVYFOD-UHFFFAOYSA-N- Summenformel
- C6H13NO
- Durchschnittliche Molmasse
- 115,17 g/mol
- Monoisotopische Masse
- 115,09971404
Namen und Bezeichner
- Bevorzugter Name
- 4-Piperidinol, 1-methyl-
- IUPAC
- 1-methylpiperidin-4-ol
- Lokaler Name
- 1-Methylpiperidin-4-ol
- Englischer Name
- N-Methyl-4-piperidinol
- Summenformel
- C6H13NO
- Molmasse
- 115.17
Namen und Synonyme
1-Methylpiperidin-4-olN-Methyl-4-piperidinol4-Hydroxy-1-methylpiperidine1-Methyl-4-piperidinol4-Hydroxy-N-methylpiperidine4-Piperidinol, 1-methyl-BAUWRHPMUVYFOD-UHFFFAOYSA-EINECS 203-406-81-Methylpiperidinol-(4)AI3-27594DTXSID9059339RefChem:100402
Weitere Namen anzeigen
N-METHYL-4-HYDROXY PIPERIDINEH431NM4PPOL-4-piperidinoL
DTXCID0032994203-406-8BAUWRHPMUVYFOD-UHFFFAOYSA-NInChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3106-52-5N-Methyl-4-hydroxypiperidine1-Methyl-4-hydroxypiperidineN-Methylpiperidol
Datenbank-Bezeichner
- CAS
106-52-5- PubChem CID
- 66048
- DTXSID
DTXSID9059339- ChEMBL
CHEMBL22332- UNII
- W95ZLR4RP5
- EC Number
- 203-406-8
- Nikkaji
- J1.828.792G、J14K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66,9
Physikochemische Eigenschaften
- Schmelzpunkt
- 29 · 29-31 °C(lit.)
- Siedepunkt
- 200 °C · 200 °C(lit.)
- Dichte
- 0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
- Dampfdruck
- 8.13 · 8.13-11Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.479
- Flammpunkt
- 190 °F · 190 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid After Melting
- pka
- 14.87 · 14.87±0.20(Predicted)
- Farbe
- Clear colorless to brown
- Wasserlöslichkeit
- MISCIBLE
- BRN
- 103024 · 103024
- Henry's Law Constant
- 1.3 · 1.3×103 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
- InChIKey
- BAUWRHPMUVYFOD-UHFFFAOYSA-N
- SMILES
- CN1CCC(O)CC1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 49.1% (52 of 106) of reports.
Danger
H315 (45.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 106 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19249
1-Methyl-4-piperidinol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (45.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 37/38-41-36/37/38-34
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-37/39-45-36/37/39-27
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information4-Piperidinol, 1-methyl-: ACTIVE
Anwendungen
VerwendenReactant for:• ;Optimization of Novobiocin scaffold to product antitumor agents1• ;Substitution about the rigidifying ring for histamine H4 receptor antagonist synthesis2Reactant for synthesis of:• ;CaMKII inhibitors3• ;VEGFR and FGFR kinase inhibitors4• ;Phosphoinositide-3-kinase inhibitors5• ;Protein lysine methyltransferase G9a inhibitors6
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
265
Notizen zur Verbindung
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