(6-phenylpyridin-3-yl)methanamine

• ChemBase ID: 89624
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: n1c(ccc(c1)CN)c1ccccc1
• Canonical SMILES: NCc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2
• InChIKey: YXWLMYSYKQXBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenylpyridin-3-yl)methanamine
• IUPAC Traditional name: (6-phenylpyridin-3-yl)methanamine
• Synonyms: (6-phenyl-3-pyridinyl)methylamine; (6-Phenyl-3-pyridinyl)methylamine; 5-(Aminomethyl)-2-phenylpyridine 95%

Database IDs

• CAS Number: 294648-38-7
• MDL Number: MFCD09025823
• PubChem SID: 162076489
• PubChem CID: 21362592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0290126
• LogD (pH = 7.4): 0.16031764
• Log P: 1.9144175
• Molar Refractivity: 57.1387 cm^3
• Polarizability: 23.887344 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-40°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%