(2-methylpyridin-4-yl)methanamine

• ChemBase ID: 307638
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(cc(CN)cc1)C
• Canonical SMILES: NCc1ccnc(c1)C
• InChI: InChI=1S/C7H10N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,5,8H2,1H3
• InChIKey: SYSGWPLRRPINQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpyridin-4-yl)methanamine
• IUPAC Traditional name: (2-methylpyridin-4-yl)methanamine
• Synonyms: 1-(2-methylpyridin-4-yl)methanamine; (2-METHYLPYRIDIN-4-YL)METHANAMINE

Database IDs

• CAS Number: 94413-70-4
• MDL Number: MFCD06637475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9654772
• LogD (pH = 7.4): -1.8891706
• Log P: 0.012711994
• Molar Refractivity: 36.966 cm^3
• Polarizability: 14.570857 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%