6-(2-aminoethyl)pyridin-3-ol

• ChemBase ID: 815056
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1cc(ccc1CCN)O
• Canonical SMILES: NCCc1ccc(cn1)O
• InChI: InChI=1S/C7H10N2O/c8-4-3-6-1-2-7(10)5-9-6/h1-2,5,10H,3-4,8H2
• InChIKey: DSHAJGOGTKYNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)pyridin-3-ol
• IUPAC Traditional name: 6-(2-aminoethyl)pyridin-3-ol
• Synonyms: 6-(2-aminoethyl)pyridin-3-ol

Database IDs

• CAS Number: 1060804-69-4

CALCULATED PROPERTIES

• Acid pKa: 9.230059
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1000462
• LogD (pH = 7.4): -2.125701
• Log P: -0.6905388
• Molar Refractivity: 38.5326 cm^3
• Polarizability: 15.164194 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%