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

• ChemBase ID: 118798
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: c1(c2c(nc3c1CCCC3)CCC2)N
• Canonical SMILES: Nc1c2CCCCc2nc2c1CCC2
• InChI: InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
• InChIKey: YLUSMKAJIQOXPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62732-44-9
• MDL Number: MFCD00618424
• PubChem SID: 162107681
• PubChem CID: 604519

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

• Partition Coefficient: 1.578

Product Information

• Purity: 95+%
• Salt Data: HCl/H2O