2-(6-methylpyridin-2-yl)propan-2-amine

• ChemBase ID: 814727
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: CC(C)(N)c1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)C(N)(C)C
• InChI: InChI=1S/C9H14N2/c1-7-5-4-6-8(11-7)9(2,3)10/h4-6H,10H2,1-3H3
• InChIKey: NAOVKAMEEARPFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylpyridin-2-yl)propan-2-amine
• IUPAC Traditional name: 2-(6-methylpyridin-2-yl)propan-2-amine
• Synonyms: 2-(6-methylpyridin-2-yl)propan-2-amine

Database IDs

• CAS Number: 1060806-45-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8227488
• LogD (pH = 7.4): -0.5414586
• Log P: 1.095714
• Molar Refractivity: 45.651 cm^3
• Polarizability: 18.263884 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%