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

• ChemBase ID: 261834
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(CCc2ccc(N)cc2)CCOCC1
• Canonical SMILES: Nc1ccc(cc1)CCN1CCOCC1
• InChI: InChI=1S/C12H18N2O/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10,13H2
• InChIKey: LLPIMIMXCXEFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethyl]aniline
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethyl]aniline
• Synonyms: 4-[2-(morpholin-4-yl)ethyl]aniline; 4-(2-MORPHOLIN-4-YL-ETHYL)-ANILINE

Database IDs

• CAS Number: 262368-47-8
• MDL Number: MFCD04114508
• PubChem SID: 164317744
• PubChem CID: 21955025

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8428076
• LogD (pH = 7.4): 0.81035674
• Log P: 1.1558774
• Molar Refractivity: 63.1306 cm^3
• Polarizability: 23.934181 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 1.037

Product Information

• Purity: 95%; 98%