methyl[2-(pyridin-3-yl)ethyl]amine dihydrochloride

• ChemBase ID: 76088
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: n1cccc(c1)CCNC.Cl.Cl
• Canonical SMILES: CNCCc1cccnc1.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-9-6-4-8-3-2-5-10-7-8;;/h2-3,5,7,9H,4,6H2,1H3;2*1H
• InChIKey: LPNPZPFIFWNIMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyridin-3-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: methyl[2-(pyridin-3-yl)ethyl]amine dihydrochloride
• Synonyms: methyl[2-(pyridin-3-yl)ethyl]amine dihydrochloride; 3-[2-(Methylamino)ethyl]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD03840042
• PubChem SID: 162041006
• PubChem CID: 17998867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6174426
• LogD (pH = 7.4): -1.8570777
• Log P: 0.6025834
• Molar Refractivity: 41.9041 cm^3
• Polarizability: 16.419964 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.082

Product Information

• Purity: 95%