methyl[1-(pyridin-2-yl)ethyl]amine dihydrochloride

• ChemBase ID: 259911
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: n1c(C(NC)C)cccc1.Cl.Cl
• Canonical SMILES: CNC(c1ccccn1)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-7(9-2)8-5-3-4-6-10-8;;/h3-7,9H,1-2H3;2*1H
• InChIKey: WAFNNWYZIZSTMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-2-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: methyl[1-(pyridin-2-yl)ethyl]amine dihydrochloride
• Synonyms: methyl[1-(pyridin-2-yl)ethyl]amine dihydrochloride

Database IDs

• MDL Number: MFCD12197067
• PubChem SID: 164315821
• PubChem CID: 42921480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8604116
• LogD (pH = 7.4): -0.19679698
• Log P: 0.96415836
• Molar Refractivity: 41.1208 cm^3
• Polarizability: 16.497211 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.322

Product Information

• Purity: 95%