1-(methylamino)-3-(morpholin-4-yl)propan-2-ol

• ChemBase ID: 235744
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: N1(CC(O)CNC)CCOCC1
• Canonical SMILES: CNCC(CN1CCOCC1)O
• InChI: InChI=1S/C8H18N2O2/c1-9-6-8(11)7-10-2-4-12-5-3-10/h8-9,11H,2-7H2,1H3
• InChIKey: RMDISURRHDBKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylamino)-3-(morpholin-4-yl)propan-2-ol
• IUPAC Traditional name: 1-(methylamino)-3-(morpholin-4-yl)propan-2-ol
• Synonyms: 1-(methylamino)-3-(morpholin-4-yl)propan-2-ol

Database IDs

• MDL Number: MFCD03990574
• PubChem SID: 164291654
• PubChem CID: 4001215

CALCULATED PROPERTIES

• Acid pKa: 14.525902
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.6657553
• LogD (pH = 7.4): -3.4210656
• Log P: -1.0230694
• Molar Refractivity: 47.7495 cm^3
• Polarizability: 19.106642 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.854

Product Information

• Purity: 95%