ethyl(quinolin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 272809
• Molecular Formular: C12H16Cl2N2
• Molecular Mass: 259.17484
• Monoisotopic Mass: 258.06905388
• SMILES: n1c2c(ccc1CNCC)cccc2.Cl.Cl
• Canonical SMILES: CCNCc1ccc2c(n1)cccc2.Cl.Cl
• InChI: InChI=1S/C12H14N2.2ClH/c1-2-13-9-11-8-7-10-5-3-4-6-12(10)14-11;;/h3-8,13H,2,9H2,1H3;2*1H
• InChIKey: WVRQHGBEECYHHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(quinolin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: ethyl(quinolin-2-ylmethyl)amine dihydrochloride
• Synonyms: ethyl(quinolin-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18380759
• PubChem SID: 164328719
• PubChem CID: 50988344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81696254
• LogD (pH = 7.4): 0.7655219
• Log P: 2.1275291
• Molar Refractivity: 57.4537 cm^3
• Polarizability: 24.118864 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%