2-{[2-(morpholin-4-yl)ethyl]amino}ethan-1-ol

• ChemBase ID: 261430
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: N1(CCNCCO)CCOCC1
• Canonical SMILES: OCCNCCN1CCOCC1
• InChI: InChI=1S/C8H18N2O2/c11-6-2-9-1-3-10-4-7-12-8-5-10/h9,11H,1-8H2
• InChIKey: CZAIZYXGORRFQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(morpholin-4-yl)ethyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[2-(morpholin-4-yl)ethyl]amino}ethanol
• Synonyms: 2-{[2-(morpholin-4-yl)ethyl]amino}ethan-1-ol

Database IDs

• MDL Number: MFCD00023387
• PubChem SID: 164317340
• PubChem CID: 18936153

CALCULATED PROPERTIES

• Acid pKa: 15.602137
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.276811
• LogD (pH = 7.4): -3.0846848
• Log P: -1.0828364
• Molar Refractivity: 48.0793 cm^3
• Polarizability: 19.106642 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.517

Product Information

• Purity: 95%