2-amino-1-(pyridin-4-yl)ethan-1-ol

• ChemBase ID: 76270
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1ccc(cc1)C(O)CN
• Canonical SMILES: NCC(c1ccncc1)O
• InChI: InChI=1S/C7H10N2O/c8-5-7(10)6-1-3-9-4-2-6/h1-4,7,10H,5,8H2
• InChIKey: XYIUAYKSHAYZDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(pyridin-4-yl)ethan-1-ol
• IUPAC Traditional name: 2-amino-1-(pyridin-4-yl)ethanol
• Synonyms: 2-amino-1-(pyridin-4-yl)ethan-1-ol; 2-hydroxy-4-pyridylethylamine

Database IDs

• MDL Number: MFCD03840173
• PubChem SID: 162041177
• PubChem CID: 3708172

CALCULATED PROPERTIES

• Acid pKa: 13.963868
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7653842
• LogD (pH = 7.4): -2.4236708
• Log P: -0.7489931
• Molar Refractivity: 38.337 cm^3
• Polarizability: 15.249339 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.222

Product Information

• Purity: 95%