[6-(diethylamino)pyridin-3-yl]methanol

• ChemBase ID: 101775
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: n1c(N(CC)CC)ccc(c1)CO
• Canonical SMILES: CCN(c1ccc(cn1)CO)CC
• InChI: InChI=1S/C10H16N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-7,13H,3-4,8H2,1-2H3
• InChIKey: OMGIPGLZKJOJSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(diethylamino)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(diethylamino)pyridin-3-yl]methanol
• Synonyms: [6-(diethylamino)-3-pyridinyl]methanol

Database IDs

• CAS Number: 690632-68-9
• MDL Number: MFCD06200887
• PubChem SID: 162087613
• PubChem CID: 2794793

CALCULATED PROPERTIES

• Acid pKa: 14.842886
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8171078
• LogD (pH = 7.4): 1.3873729
• Log P: 1.4043409
• Molar Refractivity: 54.9563 cm^3
• Polarizability: 20.387724 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%