9H-fluoren-9-amine

• ChemBase ID: 247234
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: c12c3c(C(c1cccc2)N)cccc3
• Canonical SMILES: NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H11N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,14H2
• InChIKey: OUGMRQJTULXVDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 525-03-1
• MDL Number: MFCD00871339
• PubChem SID: 164303144
• PubChem CID: 10671

CALCULATED PROPERTIES

• Acid pKa: 18.835398
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41545287
• LogD (pH = 7.4): 0.6289886
• Log P: 2.557234
• Molar Refractivity: 57.8924 cm^3
• Polarizability: 24.104649 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 2.428

Product Information

• Purity: 95%