[3-(morpholin-4-yl)oxan-3-yl]methanamine

• ChemBase ID: 239254
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: N1(C2(COCCC2)CN)CCOCC1
• Canonical SMILES: NCC1(CCCOC1)N1CCOCC1
• InChI: InChI=1S/C10H20N2O2/c11-8-10(2-1-5-14-9-10)12-3-6-13-7-4-12/h1-9,11H2
• InChIKey: JOUAIBFJKJTHPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)oxan-3-yl]methanamine
• IUPAC Traditional name: [3-(morpholin-4-yl)oxan-3-yl]methanamine
• Synonyms: [3-(morpholin-4-yl)oxan-3-yl]methanamine

Database IDs

• MDL Number: MFCD19670169
• PubChem SID: 164295164
• PubChem CID: 64174743

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.6495662
• LogD (pH = 7.4): -2.4176984
• Log P: -0.48295707
• Molar Refractivity: 55.1567 cm^3
• Polarizability: 22.131233 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%