N-[2-(morpholin-4-yl)ethyl]aniline

• ChemBase ID: 74206
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(c1ccccc1)CCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCNc1ccccc1
• InChI: InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)13-6-7-14-8-10-15-11-9-14/h1-5,13H,6-11H2
• InChIKey: SAZUWZDBGLLRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]aniline
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]aniline
• Synonyms: N-[2-(morpholin-4-yl)ethyl]aniline; N-(2-Morpholinoethyl)aniline

Database IDs

• MDL Number: MFCD00832190
• PubChem SID: 162039125
• PubChem CID: 2737013

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.18799995
• LogD (pH = 7.4): 1.1215861
• Log P: 1.246168
• Molar Refractivity: 63.3454 cm^3
• Polarizability: 24.01469 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-133°C/0.1mm
• Hydrophobicity(logP): 1.857

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%