4-(morpholin-4-yl)butan-2-ol

• ChemBase ID: 272175
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CCC(O)C)CCOCC1
• Canonical SMILES: CC(CCN1CCOCC1)O
• InChI: InChI=1S/C8H17NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h8,10H,2-7H2,1H3
• InChIKey: RHBZAIRQNOBTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butan-2-ol
• IUPAC Traditional name: 4-(morpholin-4-yl)butan-2-ol
• Synonyms: 4-(morpholin-4-yl)butan-2-ol

Database IDs

• MDL Number: MFCD16100730
• PubChem SID: 164328085
• PubChem CID: 14555601

CALCULATED PROPERTIES

• Acid pKa: 15.622941
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2327142
• LogD (pH = 7.4): -0.5956121
• Log P: -0.24189824
• Molar Refractivity: 44.6391 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.123

Product Information

• Purity: 95%