(3-methylpyridin-4-yl)methanamine

• ChemBase ID: 307007
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1cc(c(CN)cc1)C
• Canonical SMILES: NCc1ccncc1C
• InChI: InChI=1S/C7H10N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,4,8H2,1H3
• InChIKey: DZMLSCJHELOPFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylpyridin-4-yl)methanamine
• IUPAC Traditional name: (3-methylpyridin-4-yl)methanamine
• Synonyms: 1-(3-methylpyridin-4-yl)methanamine; C-(3-METHYL-PYRIDIN-4-YL)-METHYLAMINE

Database IDs

• CAS Number: 97004-05-2
• MDL Number: MFCD04038469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5735073
• LogD (pH = 7.4): -1.4671503
• Log P: 0.3947632
• Molar Refractivity: 37.4157 cm^3
• Polarizability: 14.570817 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%