4,6-dimethylpyridin-3-amine

• ChemBase ID: 91367
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1cc(c(cc1C)C)N
• Canonical SMILES: Cc1ncc(c(c1)C)N
• InChI: InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3
• InChIKey: SHSQTJRJQHPJRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyridin-3-amine
• IUPAC Traditional name: 4,6-dimethylpyridin-3-amine
• Synonyms: 4,6-Dimethylpyridin-3-amine; 5-Amino-2,4-lutidine; 3-Amino-4,6-dimethylpyridine 97%; 4,6-Dimethyl-pyridin-3-ylamine; 5-amino-2,4-dimethylpyridine

Database IDs

• CAS Number: 1193-71-1
• MDL Number: MFCD07439969
• PubChem SID: 162078066
• PubChem CID: 7060669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6258025
• LogD (pH = 7.4): 0.42572927
• Log P: 0.57143897
• Molar Refractivity: 38.2342 cm^3
• Polarizability: 14.098878 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47-50°C
• Partition Coefficient: 0.593

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 95+%; 97%