(3-methylpyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 799900
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: Cl.C(N)c1ncccc1C
• Canonical SMILES: NCc1ncccc1C.Cl
• InChI: InChI=1S/C7H10N2.ClH/c1-6-3-2-4-9-7(6)5-8;/h2-4H,5,8H2,1H3;1H
• InChIKey: RXEGAVWOPSLNLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylpyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (3-methylpyridin-2-yl)methanamine hydrochloride
• Synonyms: (3-Methylpyridin-2-yl)methanamine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.258144
• LogD (pH = 7.4): -0.6843928
• Log P: 0.4762351
• Molar Refractivity: 36.8935 cm^3
• Polarizability: 14.571929 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%