9H-fluoren-9-aminium chloride

• ChemBase ID: 301976
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: c1ccc2c(c1)c1ccccc1C2[NH3+].[Cl-]
• Canonical SMILES: [NH3+]C1c2ccccc2c2c1cccc2.[Cl-]
• InChI: InChI=1S/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H
• InChIKey: SYKJOJSYQSVNOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-aminium chloride
• IUPAC Traditional name: 9H-fluoren-9-aminium chloride
• Synonyms: 9-Fluorenylamine hydrochloride; 9-Aminofluorene hydrochloride; 9-氨基芴.盐酸盐

Database IDs

• CAS Number: 5978-75-6
• EC Number: 227-778-6
• MDL Number: MFCD00012536
• Beilstein Number: 3915368

CALCULATED PROPERTIES

• Acid pKa: 18.835398
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -0.41545287
• LogD (pH = 7.4): 0.6289886
• Log P: 2.557234
• Molar Refractivity: 69.1852 cm^3
• Polarizability: 24.002016 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 225°C

Safety Information

• RTECS: LL5130000
• European Hazard Symbols: X
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%