5-(4-methylphenyl)pyridin-2-amine

• ChemBase ID: 287654
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Nc1ncc(c2ccc(C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)c1ccc(nc1)N
• InChI: InChI=1S/C12H12N2/c1-9-2-4-10(5-3-9)11-6-7-12(13)14-8-11/h2-8H,1H3,(H2,13,14)
• InChIKey: KKSNKMREWHGJFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methylphenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-methylphenyl)pyridin-2-amine
• Synonyms: 5-(p-Tolyl)pyridin-2-amine

Database IDs

• CAS Number: 503536-74-1
• MDL Number: MFCD06797790
• PubChem SID: 180673185
• PubChem CID: 20099817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8689655
• LogD (pH = 7.4): 2.6465023
• Log P: 2.6817517
• Molar Refractivity: 59.0924 cm^3
• Polarizability: 23.382765 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%