(4,6-dimethylpyridin-3-yl)methanamine

• ChemBase ID: 306671
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1cc(c(cc1C)C)CN
• Canonical SMILES: Cc1cc(C)ncc1CN
• InChI: InChI=1S/C8H12N2/c1-6-3-7(2)10-5-8(6)4-9/h3,5H,4,9H2,1-2H3
• InChIKey: DCSKAVJDRSTGDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-dimethylpyridin-3-yl)methanamine
• IUPAC Traditional name: (4,6-dimethylpyridin-3-yl)methanamine
• Synonyms: 1-(4,6-dimethyl-3-pyridinyl)methanamine; (4,6-DIMETHYLPYRIDIN-3-YL)METHANAMINE

Database IDs

• CAS Number: 98489-36-2
• MDL Number: MFCD10700197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.486371
• LogD (pH = 7.4): -1.2795193
• Log P: 0.52613336
• Molar Refractivity: 42.0072 cm^3
• Polarizability: 16.3364 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%