6-ethylquinolin-4-amine

• ChemBase ID: 805186
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1cc2c(cc1CC)c(ccn2)N
• Canonical SMILES: CCc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C11H12N2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: QVBZMOLISBWGIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylquinolin-4-amine
• IUPAC Traditional name: 6-ethylquinolin-4-amine
• Synonyms: 4-AMINO-6-ETHYLQUINOLINE

Database IDs

• CAS Number: 948293-21-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9296066
• LogD (pH = 7.4): 1.3837138
• Log P: 2.2599645
• Molar Refractivity: 54.3219 cm^3
• Polarizability: 21.767387 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%