N-butyl-4-(morpholin-4-yl)aniline

• ChemBase ID: 259970
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1(c2ccc(NCCCC)cc2)CCOCC1
• Canonical SMILES: CCCCNc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C14H22N2O/c1-2-3-8-15-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h4-7,15H,2-3,8-12H2,1H3
• InChIKey: YMTYPMPBXZYCSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: N-butyl-4-(morpholin-4-yl)aniline
• Synonyms: N-butyl-4-(morpholin-4-yl)aniline

Database IDs

• MDL Number: MFCD11161751
• PubChem SID: 164315880
• PubChem CID: 28675754

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4588813
• LogD (pH = 7.4): 2.5820315
• Log P: 2.6594663
• Molar Refractivity: 73.6285 cm^3
• Polarizability: 27.307037 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 3.048

Product Information

• Purity: 95%