(naphthalen-2-ylmethyl)(pyridin-3-ylmethyl)amine dihydrochloride

• ChemBase ID: 15664
• Molecular Formular: C17H18Cl2N2
• Molecular Mass: 321.24422
• Monoisotopic Mass: 320.08470395
• SMILES: c1(CNCc2cccnc2)ccc2c(c1)cccc2.Cl.Cl
• Canonical SMILES: c1ccc(cn1)CNCc1ccc2c(c1)cccc2.Cl.Cl
• InChI: InChI=1S/C17H16N2.2ClH/c1-2-6-17-10-14(7-8-16(17)5-1)11-19-13-15-4-3-9-18-12-15;;/h1-10,12,19H,11,13H2;2*1H
• InChIKey: WIOMWAHZRURHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-2-ylmethyl)(pyridin-3-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: (naphthalen-2-ylmethyl)(pyridin-3-ylmethyl)amine dihydrochloride
• Synonyms: (2-Naphthylmethyl)(pyridin-3-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD06801136
• PubChem SID: 160978971
• PubChem CID: 45074988

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.08778471
• LogD (pH = 7.4): 1.6769346
• Log P: 3.027872
• Molar Refractivity: 78.2119 cm^3
• Polarizability: 31.904324 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false