9H-fluoren-3-amine hydrochloride

• ChemBase ID: 255306
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: c12c3c(Cc1ccc(c2)N)cccc3.Cl
• Canonical SMILES: Nc1ccc2c(c1)c1ccccc1C2.Cl
• InChI: InChI=1S/C13H11N.ClH/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;/h1-6,8H,7,14H2;1H
• InChIKey: QSHDQOIPIUYASJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-3-amine hydrochloride
• IUPAC Traditional name: 9H-fluoren-3-amine hydrochloride
• Synonyms: 9H-fluoren-3-amine hydrochloride

Database IDs

• MDL Number: MFCD09971525
• PubChem SID: 164311216
• PubChem CID: 18686523

CALCULATED PROPERTIES

• Acid pKa: 17.834105
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8809643
• LogD (pH = 7.4): 2.9097142
• Log P: 2.9100935
• Molar Refractivity: 59.5738 cm^3
• Polarizability: 23.601173 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 2.848

Product Information

• Purity: 95%