3-ethylquinolin-2-amine

• ChemBase ID: 816077
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1cc2c(cc1)cc(c(n2)N)CC
• Canonical SMILES: CCc1cc2ccccc2nc1N
• InChI: InChI=1S/C11H12N2/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: OVRNVKCPIGEHII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylquinolin-2-amine
• IUPAC Traditional name: 3-ethylquinolin-2-amine
• Synonyms: 2-AMINO-3-ETHYLQUINOLINE

Database IDs

• CAS Number: 137110-44-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8750784
• LogD (pH = 7.4): 2.8042996
• Log P: 2.854422
• Molar Refractivity: 54.6354 cm^3
• Polarizability: 21.769138 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%