piperidin-2-ylmethanol

• ChemBase ID: 70042
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1C(CCCC1)CO
• Canonical SMILES: OCC1CCCCN1
• InChI: InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
• InChIKey: PRAYXGYYVXRDDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-2-ylmethanol; (piperidin-2-yl)methanol
• IUPAC Traditional name: piperidin-2-yl-methanol
• Synonyms: 2-(Hydroxymethyl)piperidine; 2-Piperidinemethanol; 2-Piperidinemethanol; Piperidin-2-ylmethanol; 2-(Hydroxymethyl)piperidine; 2-羟甲基哌啶; 2-哌啶甲醇

Database IDs

• CAS Number: 3433-37-2
• EC Number: 222-333-2
• MDL Number: MFCD00005987
• PubChem SID: 162035767; 24849499
• PubChem CID: 94263

CALCULATED PROPERTIES

• Acid pKa: 15.120575
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1817188
• LogD (pH = 7.4): -2.352846
• Log P: 0.027152717
• Molar Refractivity: 32.7979 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-70 °C(lit.); 68-70°C
• Boiling Point: 100-102°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227-H315-H319; H315-H319-H335
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C6H13NO

DETAILS

Sigma Aldrich - 155225

Packaging
5, 25, 100 g in glass bottle