1-benzyl-1,2,3,4-tetrahydroquinolin-6-amine dihydrochloride

• ChemBase ID: 265543
• Molecular Formular: C16H20Cl2N2
• Molecular Mass: 311.2494
• Monoisotopic Mass: 310.10035401
• SMILES: N1(c2c(cc(cc2)N)CCC1)Cc1ccccc1.Cl.Cl
• Canonical SMILES: Nc1ccc2c(c1)CCCN2Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C16H18N2.2ClH/c17-15-8-9-16-14(11-15)7-4-10-18(16)12-13-5-2-1-3-6-13;;/h1-3,5-6,8-9,11H,4,7,10,12,17H2;2*1H
• InChIKey: ZCZNRMHHBQQZBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1,2,3,4-tetrahydroquinolin-6-amine dihydrochloride
• IUPAC Traditional name: 1-benzyl-3,4-dihydro-2H-quinolin-6-amine dihydrochloride
• Synonyms: 1-benzyl-1,2,3,4-tetrahydroquinolin-6-amine dihydrochloride

Database IDs

• MDL Number: MFCD14705784
• PubChem SID: 164321453
• PubChem CID: 47002443

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7200658
• LogD (pH = 7.4): 3.4368885
• Log P: 3.461294
• Molar Refractivity: 77.7102 cm^3
• Polarizability: 28.806423 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 3.512

Product Information

• Purity: 95%