(1R)-1-(6-methylpyridin-2-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 241744
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: n1c([C@H](N)C)cccc1C.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)[C@H](N)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-6-4-3-5-8(10-6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H/t7-;;/m1../s1
• InChIKey: ADHLSEZFNCMZFN-XCUBXKJBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565910
• PubChem SID: 164297654
• PubChem CID: 71756856

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%