3-methylpyridin-2-amine hydrochloride

• ChemBase ID: 812828
• Molecular Formular: C6H9ClN2
• Molecular Mass: 144.60206
• Monoisotopic Mass: 144.04542598
• SMILES: Cl.Nc1ncccc1C
• Canonical SMILES: Cc1cccnc1N.Cl
• InChI: InChI=1S/C6H8N2.ClH/c1-5-3-2-4-8-6(5)7;/h2-4H,1H3,(H2,7,8);1H
• InChIKey: TWPWGZCCJIAXOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridin-2-amine hydrochloride
• IUPAC Traditional name: 2-pyridinamine, 3-methyl- hydrochloride
• Synonyms: 3-METHYL-PYRIDIN-2-YLAMINE HCL

Database IDs

• CAS Number: 32654-40-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2909684
• LogD (pH = 7.4): 0.7896611
• Log P: 1.0345263
• Molar Refractivity: 33.9562 cm^3
• Polarizability: 12.334241 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%