2-(1,2,3,4-tetrahydroquinolin-8-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 278968
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: c12NCCCc1cccc2CCN.Cl.Cl
• Canonical SMILES: NCCc1cccc2c1NCCC2.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c12-7-6-10-4-1-3-9-5-2-8-13-11(9)10;;/h1,3-4,13H,2,5-8,12H2;2*1H
• InChIKey: XUKXKIUEGKYDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroquinolin-8-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine dihydrochloride
• Synonyms: 2-(1,2,3,4-tetrahydroquinolin-8-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD20233560
• PubChem SID: 164334878
• PubChem CID: 54595062

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7101172
• LogD (pH = 7.4): -0.9793626
• Log P: 1.3449107
• Molar Refractivity: 57.3908 cm^3
• Polarizability: 21.342628 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 284 - 286°C
• Hydrophobicity(logP): 1.476

Product Information

• Purity: 95%