N,N-dimethyl-3-nitro-9H-fluoren-2-amine

• ChemBase ID: 108701
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: CN(C)c1cc2c(cc1[N+](=O)[O-])c1ccccc1C2
• Canonical SMILES: [O-][N+](=O)c1cc2c(cc1N(C)C)Cc1c2cccc1
• InChI: InChI=1S/C15H14N2O2/c1-16(2)14-8-11-7-10-5-3-4-6-12(10)13(11)9-15(14)17(18)19/h3-6,8-9H,7H2,1-2H3
• InChIKey: HUINNTZAYMOQQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-nitro-9H-fluoren-2-amine
• IUPAC Traditional name: N,N-dimethyl-3-nitro-9H-fluoren-2-amine
• Synonyms: 2-DIMETHYLAMINO-3-NITROFLUORENE

Database IDs

• CAS Number: 57105-64-3
• PubChem SID: 162094334
• PubChem CID: 224052

CALCULATED PROPERTIES

• Acid pKa: 16.619894
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7870255
• LogD (pH = 7.4): 3.7870471
• Log P: 3.7870474
• Molar Refractivity: 76.6267 cm^3
• Polarizability: 28.992405 Å^3
• Polar Surface Area: 49.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208380

MP Biomedicals Rare Chemical collection