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

• ChemBase ID: 177172
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1cnc(cc1)NCCO
• Canonical SMILES: OCCNc1ccccn1
• InChI: InChI=1S/C7H10N2O/c10-6-5-9-7-3-1-2-4-8-7/h1-4,10H,5-6H2,(H,8,9)
• InChIKey: UYLOQLKUWBXBBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(pyridin-2-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(pyridin-2-ylamino)ethanol
• Synonyms: 2-(2-Pyridinylamino)ethanol; 2-(2-Pyridylamino)ethanol; NSC 128128; N-(2-Pyridylamino)ethanol; 2-(pyridin-2-ylamino)ethanol

Database IDs

• CAS Number: 89943-04-4
• MDL Number: MFCD02069070
• PubChem SID: 164233082
• PubChem CID: 420844

CALCULATED PROPERTIES

• Acid pKa: 15.585776
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8639187
• LogD (pH = 7.4): 0.06855855
• Log P: 0.13270703
• Molar Refractivity: 40.7007 cm^3
• Polarizability: 14.872105 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Methanol
• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.352

Product Information

• Purity: 95%