3-(3-chlorophenoxy)piperidine hydrochloride

• ChemBase ID: 20866
• Molecular Formular: C11H15Cl2NO
• Molecular Mass: 248.1489
• Monoisotopic Mass: 247.05306947
• SMILES: N1CC(Oc2cccc(c2)Cl)CCC1.Cl
• Canonical SMILES: Clc1cccc(c1)OC1CCCNC1.Cl
• InChI: InChI=1S/C11H14ClNO.ClH/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11;/h1,3-4,7,11,13H,2,5-6,8H2;1H
• InChIKey: CNQOQASAMXQVLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-chlorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(3-chlorophenoxy)piperidine hydrochloride
• Synonyms: 3-(3-Chlorophenoxy)piperidine hydrochloride; 3-(3-Chlorophenoxy)piperidine hydrochloride; 3-(3-氯苯氧基)哌啶盐酸盐

Database IDs

• CAS Number: 1185301-51-2
• MDL Number: MFCD11870724
• PubChem SID: 160984173
• PubChem CID: 46735660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64504284
• LogD (pH = 7.4): 0.48569024
• Log P: 2.5207803
• Molar Refractivity: 57.2616 cm^3
• Polarizability: 22.87338 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: 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%