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4099-51-8 molecular structure
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N-hydroxy-2,2-diphenylacetamide

ChemBase ID: 154689
Molecular Formular: C14H13NO2
Molecular Mass: 227.25852
Monoisotopic Mass: 227.09462866
SMILES and InChIs

SMILES:
c1ccc(cc1)C(c1ccccc1)C(=O)NO
Canonical SMILES:
ONC(=O)C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)
InChIKey:
OFSBBVCLWMCGNY-UHFFFAOYSA-N

Cite this record

CBID:154689 http://www.chembase.cn/molecule-154689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-hydroxy-2,2-diphenylacetamide
IUPAC Traditional name
N-hydroxy-2,2-diphenylacetamide
Synonyms
N-Hydroxy diphenylacetamide
Diphenylacetohydroxamic acid
CAS Number
4099-51-8
MDL Number
MFCD16314231
PubChem SID
162248827
PubChem CID
239512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D6071 external link Add to cart Please log in.
Data Source Data ID
PubChem 239512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.780076  H Acceptors
H Donor LogD (pH = 5.5) 2.4774332 
LogD (pH = 7.4) 2.4600112  Log P 2.47766 
Molar Refractivity 65.6219 cm3 Polarizability 25.429377 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >20 mg/mL expand Show data source
Apperance
off-white to light tan powder expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-50 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H400 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C14H13NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D6071 external link
Biochem/physiol Actions
Diphenylacetohydroxamic acid is a class IIa selective histone deacetylase inhibitor.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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