4-(3-chlorophenoxy)piperidine

• ChemBase ID: 20956
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: N1CCC(Oc2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
• InChIKey: BYXWGMQMUJCYPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chlorophenoxy)piperidine
• IUPAC Traditional name: 4-(3-chlorophenoxy)piperidine
• Synonyms: 4-(3-Chlorophenoxy)piperidine; 4-(3-Chlorophenoxy)piperidine; 4-(3-氯苯氧基)哌啶

Database IDs

• CAS Number: 97840-40-9
• MDL Number: MFCD08061087
• PubChem SID: 160984263
• PubChem CID: 2735317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1440213
• LogD (pH = 7.4): -0.2997027
• Log P: 2.0633774
• Molar Refractivity: 57.4824 cm^3
• Polarizability: 22.873432 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; 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: 98%