5-methylpyridin-2-amine hydrochloride

• ChemBase ID: 812832
• Molecular Formular: C6H9ClN2
• Molecular Mass: 144.60206
• Monoisotopic Mass: 144.04542598
• SMILES: Cl.Nc1ncc(cc1)C
• Canonical SMILES: Nc1ccc(cn1)C.Cl
• InChI: InChI=1S/C6H8N2.ClH/c1-5-2-3-6(7)8-4-5;/h2-4H,1H3,(H2,7,8);1H
• InChIKey: CJMIBVIERHDCHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridin-2-amine hydrochloride
• IUPAC Traditional name: 2-amino-5-methylpyridine hydrochloride
• Synonyms: 5-METHYL-PYRIDIN-2-YLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 2454-96-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2612816
• LogD (pH = 7.4): 0.82512105
• Log P: 1.0345263
• Molar Refractivity: 33.9562 cm^3
• Polarizability: 12.3334055 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%