2-(morpholin-4-yl)-2-(oxolan-3-yl)ethan-1-amine

• ChemBase ID: 254076
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: N1(C(C2COCC2)CN)CCOCC1
• Canonical SMILES: NCC(N1CCOCC1)C1COCC1
• InChI: InChI=1S/C10H20N2O2/c11-7-10(9-1-4-14-8-9)12-2-5-13-6-3-12/h9-10H,1-8,11H2
• InChIKey: JCDLJLSZZBXHDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(oxolan-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(oxolan-3-yl)ethanamine
• Synonyms: 2-morpholin-4-yl-2-tetrahydrofuran-3-ylethanamine

Database IDs

• MDL Number: MFCD09413268
• PubChem SID: 164309986
• PubChem CID: 43184612

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.2814345
• LogD (pH = 7.4): -2.7241275
• Log P: -0.7467728
• Molar Refractivity: 55.2763 cm^3
• Polarizability: 22.131233 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.729

Product Information

• Purity: 95%