[4-(pyridin-2-yl)phenyl]methanamine

• ChemBase ID: 797898
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: C(N)c1ccc(cc1)c1ncccc1
• Canonical SMILES: NCc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C12H12N2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,9,13H2
• InChIKey: BXHXBVNRKRXSHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-2-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(pyridin-2-yl)phenyl]methanamine
• Synonyms: (4-(pyridin-2-yl)phenyl)methanamine

Database IDs

• CAS Number: 294647-97-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0973332
• LogD (pH = 7.4): -0.082430005
• Log P: 1.9144175
• Molar Refractivity: 57.1387 cm^3
• Polarizability: 23.88694 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%