6-(4-methylphenyl)pyridin-3-amine

• ChemBase ID: 286989
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Nc1ccc(c2ccc(C)cc2)nc1
• Canonical SMILES: Cc1ccc(cc1)c1ccc(cn1)N
• InChI: InChI=1S/C12H12N2/c1-9-2-4-10(5-3-9)12-7-6-11(13)8-14-12/h2-8H,13H2,1H3
• InChIKey: XFOKQYJVMKHJPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methylphenyl)pyridin-3-amine
• IUPAC Traditional name: 6-(4-methylphenyl)pyridin-3-amine
• Synonyms: 6-(p-Tolyl)pyridin-3-amine

Database IDs

• CAS Number: 170850-45-0
• MDL Number: MFCD05864839
• PubChem SID: 180672520
• PubChem CID: 23005226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3876452
• LogD (pH = 7.4): 2.4719472
• Log P: 2.4731445
• Molar Refractivity: 58.4069 cm^3
• Polarizability: 23.385227 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%