9H-fluorene-1-carboximidamide hydrochloride

• ChemBase ID: 812898
• Molecular Formular: C14H13ClN2
• Molecular Mass: 244.71942
• Monoisotopic Mass: 244.07672611
• SMILES: Cl.C1c2c(cccc2c2ccccc12)C(=N)N
• Canonical SMILES: NC(=N)c1cccc2c1Cc1c2cccc1.Cl
• InChI: InChI=1S/C14H12N2.ClH/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12;/h1-7H,8H2,(H3,15,16);1H
• InChIKey: NYKKSIMDUDJGII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 9H-fluorene-1-carboximidamide hydrochloride
• Synonyms: 9H-FLUORENE-1-CARBOXAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 885270-15-5

CALCULATED PROPERTIES

• Acid pKa: 16.690878
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.24419373
• LogD (pH = 7.4): 0.2569167
• Log P: 2.659488
• Molar Refractivity: 76.5459 cm^3
• Polarizability: 26.10825 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%