N-methyl-9H-fluoren-9-amine hydrochloride

• ChemBase ID: 810384
• Molecular Formular: C14H14ClN
• Molecular Mass: 231.72066
• Monoisotopic Mass: 231.08147713
• SMILES: Cl.N(C)C1c2ccccc2c2ccccc12
• Canonical SMILES: CNC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C14H13N.ClH/c1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;/h2-9,14-15H,1H3;1H
• InChIKey: PCNSHWDSACOTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-9H-fluoren-9-amine hydrochloride
• IUPAC Traditional name: N-methyl-9H-fluoren-9-amine hydrochloride
• Synonyms: FLUOREN-9-YL-METHYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 34221-61-9

CALCULATED PROPERTIES

• Acid pKa: 18.767284
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1176411
• LogD (pH = 7.4): 1.2159648
• Log P: 2.9898143
• Molar Refractivity: 62.667 cm^3
• Polarizability: 25.948513 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%