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

• ChemBase ID: 34506
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1(C(CO)C)CCOCC1
• Canonical SMILES: OCC(N1CCOCC1)C
• InChI: InChI=1S/C7H15NO2/c1-7(6-9)8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
• InChIKey: GPRXBRDKYYXGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12027092
• PubChem SID: 160997813
• PubChem CID: 10986371

CALCULATED PROPERTIES

• Acid pKa: 15.121294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2754657
• LogD (pH = 7.4): -0.64568
• Log P: -0.30185798
• Molar Refractivity: 39.7737 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false