(1S)-1-(pyridin-2-yl)ethan-1-amine

• ChemBase ID: 797267
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: [C@@H](C)(N)c1ncccc1
• Canonical SMILES: C[C@@H](c1ccccn1)N
• InChI: InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1
• InChIKey: PDNHLCRMUIGNBV-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(pyridin-2-yl)ethanamine
• Synonyms: (S)-1-(Pyridin-2-yl)ethanaMine

Database IDs

• CAS Number: 27854-90-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3010938
• LogD (pH = 7.4): -0.8411685
• Log P: 0.53157794
• Molar Refractivity: 36.3462 cm^3
• Polarizability: 14.650816 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%