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

• ChemBase ID: 90431
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(cccc1)C(CN)O
• Canonical SMILES: NCC(c1ccccn1)O
• InChI: InChI=1S/C7H10N2O/c8-5-7(10)6-3-1-2-4-9-6/h1-4,7,10H,5,8H2
• InChIKey: FLYWNSMGGSBXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(pyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-amino-1-(pyridin-2-yl)ethanol
• Synonyms: 2-Amino-1-(pyridin-2-yl)ethan-1-ol; 2-Hydroxy-2-(pyridin-2-yl)ethylamine; 2-(2-Amino-1-hydroxyethyl)pyridine; 2-amino-1-pyridin-2-ylethanol; 2-amino-1-(pyridin-2-yl)ethan-1-ol

Database IDs

• CAS Number: 89943-14-6
• MDL Number: MFCD03840171
• PubChem SID: 162077240
• PubChem CID: 3853779

CALCULATED PROPERTIES

• Acid pKa: 13.440792
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4100766
• LogD (pH = 7.4): -2.0648599
• Log P: -0.515332
• Molar Refractivity: 37.8899 cm^3
• Polarizability: 15.250916 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.682
• Hydrophobicity(logP): -1.222

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%