2-(piperidin-1-yl)ethan-1-ol

• ChemBase ID: 150586
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CCN(CC1)CCO
• Canonical SMILES: OCCN1CCCCC1
• InChI: InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
• InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethan-1-ol
• IUPAC Traditional name: 1-piperidineethanol
• Synonyms: 1-Piperidineethanol; 2-Piperidinoethanol; 1-(2-Hydroxyethyl)piperidine; 2-(Piperidin-1-yl)ethanol; 2-Piperidine ethanol; β-Piperidinoethanol; 1-(2-Hydroxyethyl)piperidine; 2-(1-Piperidino)ethanol; 2-(1-Piperidinyl)ethanol; 2-(N-Piperidino)ethanol; 2-(Piperid-1-yl)ethanol; N-Piperidineethanol; N-Piperidinoethanol; NSC 3460; 1-Piperidineethanol; 1-哌啶乙醇; N-哌啶乙醇; N-羟乙基哌啶; 1-(2-羟乙基)哌啶

Database IDs

• CAS Number: 3040-44-6; 1484-84-0
• EC Number: 221-244-6
• MDL Number: MFCD00006512
• Beilstein Number: 103390
• PubChem SID: 24847261; 162244747
• PubChem CID: 18232

CALCULATED PROPERTIES

• Acid pKa: 15.593262
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0201573
• LogD (pH = 7.4): -1.6934307
• Log P: 0.3504336
• Molar Refractivity: 38.4224 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethanol; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil
• Melting Point: 16°C
• Boiling Point: 199-202 °C(lit.); 199-202°C; 70-75°C@10mmHg.
• Flash Point: 156.2 °F; 69 °C; 83°C(181°F)
• Density: 0.973 g/mL at 25 °C(lit.); 0.977
• Refractive Index: 1.4804; n20/D 1.4804(lit.); n20/D 1.481

Safety Information

• Storage Condition: Refrigerator
• RTECS: TM8052000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 21/22-34; 22-36/37/38
• Safety Statements: 26-36/37/39-45; 36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H314-H318-H227; H302-H315-H319-H335
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 99%
• Grade: purum; ReagentPlus®
• Empirical Formula (Hill Notation): C7H15NO

DETAILS

Sigma Aldrich - 116068

Packaging
100, 500 g in glass bottle
Application
Counter-ion used for investigations of skin permeation of flurbiprofen1Catalyst used for enantioselective synthesis2Amine quencher used during synthesis of photoacid generators for ArF lithography3Adsorbent for capture and release of pressurized carbon dioxide for greenhouse gas control4
Legal Information
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