methyl[2-(pyridin-3-yl)ethyl]amine

• ChemBase ID: 813617
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: N(C)CCc1cnccc1
• Canonical SMILES: CNCCc1cccnc1
• InChI: InChI=1S/C8H12N2/c1-9-6-4-8-3-2-5-10-7-8/h2-3,5,7,9H,4,6H2,1H3
• InChIKey: WKRUEUNOCVALAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyridin-3-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(pyridin-3-yl)ethyl]amine
• Synonyms: (2-PYRIDIN-3-YLETHYL)METHYLAMINE

Database IDs

• CAS Number: 19690-13-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6174426
• LogD (pH = 7.4): -1.8570777
• Log P: 0.6025834
• Molar Refractivity: 41.9041 cm^3
• Polarizability: 16.419964 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%