(8S)-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 795892
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1[C@@H](c2c(CC1)cccn2)N
• Canonical SMILES: N[C@H]1CCCc2c1nccc2
• InChI: InChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8H,1,3,5,10H2/t8-/m0/s1
• InChIKey: JQGOUNFVDYUKMM-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8S)-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: (8S)-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: (8S)-5,6,7,8-Tetrahydro-8-quinolinaMine

Database IDs

• CAS Number: 369656-57-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7480108
• LogD (pH = 7.4): -0.3179001
• Log P: 1.1037959
• Molar Refractivity: 44.1092 cm^3
• Polarizability: 17.524382 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%