3-(2-methylpyridin-4-yl)propan-1-amine

• ChemBase ID: 804370
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: NCCCc1cc(ncc1)C
• Canonical SMILES: NCCCc1ccnc(c1)C
• InChI: InChI=1S/C9H14N2/c1-8-7-9(3-2-5-10)4-6-11-8/h4,6-7H,2-3,5,10H2,1H3
• InChIKey: LLUHGYLDNBPRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpyridin-4-yl)propan-1-amine
• IUPAC Traditional name: 3-(2-methylpyridin-4-yl)propan-1-amine
• Synonyms: 3-(2-METHYL-PYRIDIN-4-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.142381
• LogD (pH = 7.4): -1.79478
• Log P: 0.7459419
• Molar Refractivity: 46.322 cm^3
• Polarizability: 18.18612 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%