4-(2-chlorophenoxy)piperidine hydrochloride

• ChemBase ID: 15313
• Molecular Formular: C11H15Cl2NO
• Molecular Mass: 248.1489
• Monoisotopic Mass: 247.05306947
• SMILES: C1C(CCNC1)Oc1c(cccc1)Cl.Cl
• Canonical SMILES: Clc1ccccc1OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
• InChIKey: OWOPJLHKPATCOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-chlorophenoxy)piperidine hydrochloride
• Synonyms: 4-(2-Chlorophenoxy)piperidine hydrochloride; 4-(2-Chlorophenoxy)piperidinium chloride; 4-(2-Chlorophenoxy)piperidine hydrochloride; 1-Chloro-2-[(piperidine-4-yl)oxy]benzene hydrochloride; 4-(2-氯苯氧基)哌啶盐酸盐

Database IDs

• CAS Number: 849107-20-6
• MDL Number: MFCD02684107
• PubChem SID: 160978620
• PubChem CID: 16732589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1440213
• LogD (pH = 7.4): -0.29970205
• Log P: 2.0633774
• Molar Refractivity: 57.4824 cm^3
• Polarizability: 22.89111 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.296

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 95%