5,6,7,8-tetrahydroquinolin-6-amine dihydrochloride

• ChemBase ID: 260048
• Molecular Formular: C9H14Cl2N2
• Molecular Mass: 221.12686
• Monoisotopic Mass: 220.05340382
• SMILES: c12c(nccc2)CCC(C1)N.Cl.Cl
• Canonical SMILES: NC1CCc2c(C1)cccn2.Cl.Cl
• InChI: InChI=1S/C9H12N2.2ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;;/h1-2,5,8H,3-4,6,10H2;2*1H
• InChIKey: NOBJCHLDGWOPQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinolin-6-amine dihydrochloride
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinolin-6-amine dihydrochloride
• Synonyms: 5,6,7,8-tetrahydroquinolin-6-amine dihydrochloride

Database IDs

• MDL Number: MFCD18253908
• PubChem SID: 164315958
• PubChem CID: 54592444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4522502
• LogD (pH = 7.4): -1.8439862
• Log P: 0.5881432
• Molar Refractivity: 44.2865 cm^3
• Polarizability: 17.447672 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%