4-[bis(morpholin-4-yl)phosphanyl]morpholine

• ChemBase ID: 111872
• Molecular Formular: C12H24N3O3P
• Molecular Mass: 289.311021
• Monoisotopic Mass: 289.15552827
• SMILES: C1CN(CCO1)P(N1CCOCC1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)P(N1CCOCC1)N1CCOCC1
• InChI: InChI=1S/C12H24N3O3P/c1-7-16-8-2-13(1)19(14-3-9-17-10-4-14)15-5-11-18-12-6-15/h1-12H2
• InChIKey: CYABZYIVQJYRDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[bis(morpholin-4-yl)phosphanyl]morpholine
• IUPAC Traditional name: 4-[bis(morpholin-4-yl)phosphanyl]morpholine
• Synonyms: PHOSPHOROUS ACID TRIMORPHOLIDE

Database IDs

• CAS Number: 5815-61-2
• PubChem SID: 162096661
• PubChem CID: 260957

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.495731
• LogD (pH = 7.4): -2.4773886
• Log P: -1.3324
• Molar Refractivity: 75.7397 cm^3
• Polarizability: 30.059208 Å^3
• Polar Surface Area: 37.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221456

MP Biomedicals Rare Chemical collection