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

• ChemBase ID: 804682
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1cc2c(cc1N)CCCN2
• Canonical SMILES: Nc1ccc2c(c1)CCCN2
• InChI: InChI=1S/C9H12N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5,10H2
• InChIKey: SSEWGJUYSOIDMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-6-amine
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-6-amine
• Synonyms: 1,2,3,4-TETRAHYDROQUINOLIN-6-AMINE

Database IDs

• CAS Number: 103796-41-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.23751199
• LogD (pH = 7.4): 0.9952827
• Log P: 1.1015551
• Molar Refractivity: 48.8628 cm^3
• Polarizability: 17.332544 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%