(3,5-dimethylpyridin-2-yl)methanamine

• ChemBase ID: 804042
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(N)c1ncc(cc1C)C
• Canonical SMILES: NCc1ncc(cc1C)C
• InChI: InChI=1S/C8H12N2/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,4,9H2,1-2H3
• InChIKey: PDCOMACPZBDJAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dimethylpyridin-2-yl)methanamine
• IUPAC Traditional name: (3,5-dimethylpyridin-2-yl)methanamine
• Synonyms: (3,5-DIMETHYLPYRIDIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 780801-80-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7652017
• LogD (pH = 7.4): -0.20618588
• Log P: 0.9896565
• Molar Refractivity: 41.9347 cm^3
• Polarizability: 16.33867 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%