2-(3,4-dichlorophenyl)morpholine

• ChemBase ID: 269043
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: c1(cc(c(cc1)Cl)Cl)C1OCCNC1
• Canonical SMILES: Clc1ccc(cc1Cl)C1CNCCO1
• InChI: InChI=1S/C10H11Cl2NO/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
• InChIKey: DGBGARGNACEMSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)morpholine

Database IDs

• MDL Number: MFCD11646248
• PubChem SID: 164324953
• PubChem CID: 43350827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.124603994
• LogD (pH = 7.4): 1.8585122
• Log P: 2.5809505
• Molar Refractivity: 57.6603 cm^3
• Polarizability: 22.968245 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33 - 35°C
• Hydrophobicity(logP): 2.456

Product Information

• Purity: 95%