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

• ChemBase ID: 243256
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1cc(c(CCN)cc1)C
• Canonical SMILES: NCCc1ccncc1C
• InChI: InChI=1S/C8H12N2/c1-7-6-10-5-3-8(7)2-4-9/h3,5-6H,2,4,9H2,1H3
• InChIKey: IXHBXKYOKXXAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylpyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-methylpyridin-4-yl)ethanamine
• Synonyms: 2-(3-methylpyridin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD08449238
• PubChem SID: 164299166
• PubChem CID: 64146148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8245027
• LogD (pH = 7.4): -1.6064951
• Log P: 0.6834244
• Molar Refractivity: 42.1707 cm^3
• Polarizability: 16.339048 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.385

Product Information

• Purity: 95%