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2157-52-0 molecular structure
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N-(9H-fluoren-9-ylidene)hydroxylamine

ChemBase ID: 90168
Molecular Formular: C13H9NO
Molecular Mass: 195.21666
Monoisotopic Mass: 195.06841391
SMILES and InChIs

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

Cite this record

CBID:90168 http://www.chembase.cn/molecule-90168.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
2157-52-0
EC Number
218-471-8
MDL Number
MFCD00016356
Beilstein Number
1871046
PubChem SID
162077008
PubChem CID
16543

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.729242  H Acceptors
H Donor LogD (pH = 5.5) 3.1152606 
LogD (pH = 7.4) 3.0962188  Log P 3.116058 
Molar Refractivity 59.5334 cm3 Polarizability 23.860218 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
193-194°C expand Show data source
193-194°C°C expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
RTECS
LL9093000 expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • 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).
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PATENTS

PATENTS

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INTERNET

INTERNET

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