2-(4-chlorophenyl)morpholine

• ChemBase ID: 261272
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCNC1
• InChI: InChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
• InChIKey: ANGMDOVGFNZDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)morpholine
• Synonyms: 2-(4-chlorophenyl)morpholine

Database IDs

• CAS Number: 62243-66-7
• MDL Number: MFCD04113619
• PubChem SID: 164317182
• PubChem CID: 5154931

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5290928
• LogD (pH = 7.4): 1.2051457
• Log P: 1.976906
• Molar Refractivity: 52.8555 cm^3
• Polarizability: 21.039347 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.863

Product Information

• Purity: 95%; 98%