[cyclopropyl(pyridin-3-yl)methyl](methyl)amine dihydrochloride

• ChemBase ID: 270510
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: C1(CC1)C(c1cnccc1)NC.Cl.Cl
• Canonical SMILES: CNC(c1cccnc1)C1CC1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-11-10(8-4-5-8)9-3-2-6-12-7-9;;/h2-3,6-8,10-11H,4-5H2,1H3;2*1H
• InChIKey: YPNMZACYRLDGSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [cyclopropyl(pyridin-3-yl)methyl](methyl)amine dihydrochloride
• IUPAC Traditional name: [cyclopropyl(pyridin-3-yl)methyl](methyl)amine dihydrochloride
• Synonyms: [cyclopropyl(pyridin-3-yl)methyl](methyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD17480408
• PubChem SID: 164326420
• PubChem CID: 50988372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0212166
• LogD (pH = 7.4): -0.92967546
• Log P: 1.1542666
• Molar Refractivity: 48.7613 cm^3
• Polarizability: 19.449335 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.766

Product Information

• Purity: 95%