1,3-bis(morpholin-4-yl)propan-2-ol

• ChemBase ID: 110369
• Molecular Formular: C11H22N2O3
• Molecular Mass: 230.30398
• Monoisotopic Mass: 230.16304257
• SMILES: OC(CN1CCOCC1)CN1CCOCC1
• Canonical SMILES: OC(CN1CCOCC1)CN1CCOCC1
• InChI: InChI=1S/C11H22N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h11,14H,1-10H2
• InChIKey: YTAILAZJMHRYOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(morpholin-4-yl)propan-2-ol
• IUPAC Traditional name: 1,3-bis(morpholin-4-yl)propan-2-ol
• Synonyms: 1,3-DIMORPHOLYL-2-PROPANOL

Database IDs

• CAS Number: 7250-87-5
• PubChem SID: 162095824
• PubChem CID: 81670

CALCULATED PROPERTIES

• Acid pKa: 14.515896
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8904219
• LogD (pH = 7.4): -1.157328
• Log P: -0.8585219
• Molar Refractivity: 62.1187 cm^3
• Polarizability: 24.608793 Å^3
• Polar Surface Area: 45.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214707

MP Biomedicals Rare Chemical collection