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

• ChemBase ID: 294588
• Molecular Formular: C12H13ClN2
• Molecular Mass: 220.69802
• Monoisotopic Mass: 220.07672611
• SMILES: NCc1ccc(c2ncccc2)cc1.Cl
• Canonical SMILES: NCc1ccc(cc1)c1ccccn1.Cl
• InChI: InChI=1S/C12H12N2.ClH/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;/h1-8H,9,13H2;1H
• InChIKey: CIJJNYGBSSBMHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 180680119
• PubChem CID: 72183424

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: 95+%