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

• ChemBase ID: 76268
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: n1c(cccc1)C(O)CN.Cl
• Canonical SMILES: NCC(c1ccccn1)O.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4,7,10H,5,8H2;1H
• InChIKey: NLPBIYNLRMJMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09788581
• PubChem SID: 162041175
• PubChem CID: 43810534

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

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): -1.222

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%