8-ethylquinolin-4-amine

• ChemBase ID: 805195
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1c(c2c(cc1)c(ccn2)N)CC
• Canonical SMILES: CCc1cccc2c1nccc2N
• InChI: InChI=1S/C11H12N2/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: GUFXJONLMHAAEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethylquinolin-4-amine
• IUPAC Traditional name: 8-ethylquinolin-4-amine
• Synonyms: 4-AMINO-8-ETHYLQUINOLINE

Database IDs

• CAS Number: 948293-65-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9343523
• LogD (pH = 7.4): 1.4786674
• Log P: 2.2599645
• Molar Refractivity: 54.3219 cm^3
• Polarizability: 21.769072 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%