1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-amine hydrochloride

• ChemBase ID: 273137
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: c1(c2c(nc3c1CCCC3)CCC2)N.Cl
• Canonical SMILES: Nc1c2CCCCc2nc2c1CCC2.Cl
• InChI: InChI=1S/C12H16N2.ClH/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;/h1-7H2,(H2,13,14);1H
• InChIKey: FERZJAONQGPFCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-amine hydrochloride
• IUPAC Traditional name: 1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-amine hydrochloride
• Synonyms: 1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-amine hydrochloride

Database IDs

• MDL Number: MFCD11052605
• PubChem SID: 164329047
• PubChem CID: 6437859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21954235
• LogD (pH = 7.4): 0.3597972
• Log P: 2.1344192
• Molar Refractivity: 58.1173 cm^3
• Polarizability: 21.690706 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.903

Product Information

• Purity: 95%