2,4,6-trimethylpyridin-3-amine

• ChemBase ID: 55946
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(c(c(cc1C)C)N)C
• Canonical SMILES: Cc1cc(C)c(c(n1)C)N
• InChI: InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
• InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethylpyridin-3-amine
• IUPAC Traditional name: 2,4,6-trimethylpyridin-3-amine
• Synonyms: 2,4,6-Trimethylpyridin-3-amine

Database IDs

• CAS Number: 51467-70-0
• MDL Number: MFCD05257015
• PubChem SID: 162060709
• PubChem CID: 98846

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0475572
• LogD (pH = 7.4): 0.21116954
• Log P: 0.70280915
• Molar Refractivity: 42.8257 cm^3
• Polarizability: 15.865413 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%