2-(pyridin-3-yl)propan-2-amine

• ChemBase ID: 293526
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CC(N)(c1cccnc1)C
• Canonical SMILES: CC(c1cccnc1)(N)C
• InChI: InChI=1S/C8H12N2/c1-8(2,9)7-4-3-5-10-6-7/h3-6H,9H2,1-2H3
• InChIKey: FXIBFBGQYAPGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)propan-2-amine
• IUPAC Traditional name: 2-(pyridin-3-yl)propan-2-amine
• Synonyms: 2-(Pyridin-3-yl)propan-2-amine; 1-METHYL-1-PYRIDIN-3-YL-ETHYLAMINE

Database IDs

• CAS Number: 99980-40-2
• PubChem SID: 180679057
• PubChem CID: 28275821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.422971
• LogD (pH = 7.4): -1.5916839
• Log P: 0.57849354
• Molar Refractivity: 41.4315 cm^3
• Polarizability: 16.49587 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%