phenyl(pyridin-3-yl)methanamine

• ChemBase ID: 270158
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: C(c1cnccc1)(c1ccccc1)N
• Canonical SMILES: NC(c1cccnc1)c1ccccc1
• InChI: InChI=1S/C12H12N2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h1-9,12H,13H2
• InChIKey: XDYKWHGBZMOSDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07643289
• PubChem SID: 164326068
• PubChem CID: 6484557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1560313
• LogD (pH = 7.4): 0.32330847
• Log P: 1.6655821
• Molar Refractivity: 56.6573 cm^3
• Polarizability: 22.436884 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.945

Product Information

• Purity: 95%