(1S)-1-(6-methylpyridin-2-yl)ethan-1-amine

• ChemBase ID: 244513
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c([C@@H](N)C)cccc1C
• Canonical SMILES: Cc1cccc(n1)[C@@H](N)C
• InChI: InChI=1S/C8H12N2/c1-6-4-3-5-8(10-6)7(2)9/h3-5,7H,9H2,1-2H3/t7-/m0/s1
• InChIKey: WYWLBJSLKUQLHT-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(6-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(6-methylpyridin-2-yl)ethanamine
• Synonyms: (1S)-1-(6-methylpyridin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09256729
• PubChem SID: 164300423
• PubChem CID: 52177383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1846907
• LogD (pH = 7.4): -0.74415
• Log P: 0.66294813
• Molar Refractivity: 40.9377 cm^3
• Polarizability: 16.417847 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.405

Product Information

• Purity: 95%