2-(pyridin-2-yl)propan-2-amine

• ChemBase ID: 806213
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: NC(C)(c1ncccc1)C
• Canonical SMILES: CC(c1ccccn1)(N)C
• InChI: InChI=1S/C8H12N2/c1-8(2,9)7-5-3-4-6-10-7/h3-6H,9H2,1-2H3
• InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)propan-2-amine
• IUPAC Traditional name: 2-(pyridin-2-yl)propan-2-amine
• Synonyms: [1-METHYL-1-(PYRIDIN-2-YL)ETHYL]AMINE

Database IDs

• CAS Number: 52568-28-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9437557
• LogD (pH = 7.4): -0.63856614
• Log P: 0.96434385
• Molar Refractivity: 41.0595 cm^3
• Polarizability: 16.496878 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%