3-(2-chlorophenoxy)piperidine

• ChemBase ID: 297712
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: c1ccc(c(c1)OC1CCCNC1)Cl
• Canonical SMILES: Clc1ccccc1OC1CCCNC1
• InChI: InChI=1S/C11H14ClNO/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
• InChIKey: PCMSYMYPZAQMON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenoxy)piperidine
• IUPAC Traditional name: 3-(2-chlorophenoxy)piperidine
• Synonyms: 3-(2-Chlorophenoxy)piperidine; 3-(2-氯苯氧基)哌啶

Database IDs

• CAS Number: 902837-29-0
• MDL Number: MFCD08061102
• PubChem SID: 180683243
• PubChem CID: 24212030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6402301
• LogD (pH = 7.4): 0.51277596
• Log P: 2.5207803
• Molar Refractivity: 57.2616 cm^3
• Polarizability: 22.891087 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%