9H-fluoren-3-amine

• ChemBase ID: 77412
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: Nc1cc2c(cc1)Cc1c2cccc1
• Canonical SMILES: Nc1ccc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C13H11N/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7,14H2
• InChIKey: FNGCZPANGGUOPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-3-amine
• IUPAC Traditional name: 9H-fluoren-3-amine
• Synonyms: 3-Amino-9H-fluorene; 9H-fluoren-3-amine

Database IDs

• MDL Number: MFCD00032833
• PubChem SID: 162042285
• PubChem CID: 22818

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: 153 - 155°C
• Hydrophobicity(logP): 2.848

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%