phenyl(pyridin-2-yl)methanamine

• ChemBase ID: 287986
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: NC(c1ccccc1)c1ncccc1
• Canonical SMILES: NC(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C12H12N2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,13H2
• InChIKey: BAEZXIOBOOEPOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(pyridin-2-yl)methanamine
• IUPAC Traditional name: phenyl(pyridin-2-yl)methanamine
• Synonyms: Phenyl(pyridin-2-yl)methanamine

Database IDs

• CAS Number: 39930-11-5
• PubChem SID: 180673517
• PubChem CID: 2775258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.57473326
• LogD (pH = 7.4): 1.1116756
• Log P: 1.8992431
• Molar Refractivity: 56.2102 cm^3
• Polarizability: 22.437735 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%