3-(6-methylpyridin-3-yl)propan-1-amine

• ChemBase ID: 814723
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(CCc1cnc(cc1)C)N
• Canonical SMILES: NCCCc1ccc(nc1)C
• InChI: InChI=1S/C9H14N2/c1-8-4-5-9(7-11-8)3-2-6-10/h4-5,7H,2-3,6,10H2,1H3
• InChIKey: RXCPNSZZTUSKGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methylpyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(6-methylpyridin-3-yl)propan-1-amine
• Synonyms: 3-(6-methylpyridin-3-yl)propan-1-amine

Database IDs

• CAS Number: 1060806-38-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9605412
• LogD (pH = 7.4): -1.7754269
• Log P: 0.7459419
• Molar Refractivity: 46.322 cm^3
• Polarizability: 18.187323 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%