1H,2H,3H-cyclopenta[b]quinolin-9-amine

• ChemBase ID: 293563
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Nc1c2CCCc2nc2ccccc12
• Canonical SMILES: Nc1c2CCCc2nc2c1cccc2
• InChI: InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
• InChIKey: GYSCQDBTSDBCGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H-cyclopenta[b]quinolin-9-amine
• IUPAC Traditional name: 1H,2H,3H-cyclopenta[b]quinolin-9-amine
• Synonyms: 2,3-Dihydro-1H-cyclopenta[b]quinolin-9-amine

Database IDs

• CAS Number: 18528-78-4
• PubChem SID: 180679094
• PubChem CID: 205772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.38557178
• LogD (pH = 7.4): 0.81169397
• Log P: 2.183576
• Molar Refractivity: 57.1371 cm^3
• Polarizability: 22.78263 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%