2,4-bis(morpholin-4-yl)aniline

• ChemBase ID: 30323
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: c1(cc(N2CCOCC2)ccc1N)N1CCOCC1
• Canonical SMILES: Nc1ccc(cc1N1CCOCC1)N1CCOCC1
• InChI: InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
• InChIKey: VEMKXLKXBFHADY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(morpholin-4-yl)aniline
• IUPAC Traditional name: 2,4-bis(morpholin-4-yl)aniline
• Synonyms: 2,4-Di-morpholin-4-yl-phenylamine

Database IDs

• CAS Number: 436088-92-5
• MDL Number: MFCD03274726
• PubChem SID: 160993630
• PubChem CID: 796226

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.66079783
• LogD (pH = 7.4): 0.91886765
• Log P: 0.92340666
• Molar Refractivity: 77.7646 cm^3
• Polarizability: 28.411562 Å^3
• Polar Surface Area: 50.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false