1-(9H-fluoren-2-yl)guanidine

• ChemBase ID: 117532
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: c12c(c3c(C1)cccc3)ccc(NC(=N)N)c2
• Canonical SMILES: NC(=N)Nc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C14H13N3/c15-14(16)17-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,15,16,17)
• InChIKey: HXBDAQXPMQOXMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-2-yl)guanidine
• IUPAC Traditional name: 1-(9H-fluoren-2-yl)guanidine
• Synonyms: N-9H-fluoren-2-ylguanidine

Database IDs

• MDL Number: MFCD16653177
• PubChem SID: 162089997
• PubChem CID: 14655638

CALCULATED PROPERTIES

• Acid pKa: 17.034122
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.3062684
• LogD (pH = 7.4): 0.7125658
• Log P: 2.7130125
• Molar Refractivity: 81.0072 cm^3
• Polarizability: 27.212328 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.416

Product Information

• Purity: 95+%