[4-(pyridin-3-yl)phenyl]methanamine

• ChemBase ID: 285030
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: c1(c2cnccc2)ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)c1cccnc1
• InChI: InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
• InChIKey: FUHDBJVMRRGFTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-3-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(pyridin-3-yl)phenyl]methanamine
• Synonyms: [4-(pyridin-3-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD08544239
• PubChem SID: 180670561
• PubChem CID: 16244360

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5141146
• LogD (pH = 7.4): -0.4965959
• Log P: 1.5285672
• Molar Refractivity: 57.5107 cm^3
• Polarizability: 23.885042 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66 - 68°C
• Hydrophobicity(logP): 1.485

Product Information

• Purity: 95%