N-(9H-fluoren-9-ylidene)hydroxylamine

• ChemBase ID: 90168
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: N(=C\1/c2c(cccc2)c2c1cccc2)\O
• Canonical SMILES: O/N=C/1\c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H
• InChIKey: CRNNFEKVPRFZKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-9-ylidene)hydroxylamine; N-[(9E)-9H-fluoren-9-ylidene]hydroxylamine
• IUPAC Traditional name: fluorenone oxime; N-[(9E)-fluoren-9-ylidene]hydroxylamine
• Synonyms: 9H-Fluoren-9-one oxime; 9-Fluorenone oxime; 9-芴酮肟

Database IDs

• CAS Number: 2157-52-0
• EC Number: 218-471-8
• MDL Number: MFCD00016356
• Beilstein Number: 1871046
• PubChem SID: 162077008
• PubChem CID: 16543

CALCULATED PROPERTIES

• Acid pKa: 8.729242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1152606
• LogD (pH = 7.4): 3.0962188
• Log P: 3.116058
• Molar Refractivity: 59.5334 cm^3
• Polarizability: 23.860218 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193-194°C; 193-194°C°C

Safety Information

• Storage Warning: Irritant/Keep Cold
• RTECS: LL9093000
• TSCA Listed: 否

Product Information

• Purity: 98+%

REFERENCES

• Reductive alkylation by sodium and liquid ammonia in the presence of an alkyl halide leads to 9-alkyl-9-aminofluorenes: Bull. Soc. Chim. Fr., 2916 (1968).