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2719-21-3 molecular structure
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N-(4-acetylphenyl)acetamide

ChemBase ID: 89186
Molecular Formular: C10H11NO2
Molecular Mass: 177.19984
Monoisotopic Mass: 177.0789786
SMILES and InChIs

SMILES:
N(c1ccc(cc1)C(=O)C)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1)C(=O)C
InChI:
InChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey:
WECHHDJTILFYQT-UHFFFAOYSA-N

Cite this record

CBID:89186 http://www.chembase.cn/molecule-89186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-acetylphenyl)acetamide
IUPAC Traditional name
acetamide, N-(4-acetylphenyl)-
Synonyms
N-(4-acetylphenyl)acetamide
N-(4-Acetylphenyl)acetamide
1-[4-(Acetylamino)phenyl]ethan-1-one
4'-Acetamidoacetophenone 98%
4′-Acetylacetanilide
4-Acetamidoacetophenone
4′-Acetamidoacetophenone
4'-Acetylacetanilide
N,4-Diacetylaniline
4'-Acetamidoacetophenone
4-乙酰胺苯乙酮
4′-乙酰胺苯乙酮
对乙酰氨基苯乙酮
4′-乙酰胺基苯乙酮
4-乙酰胺苯乙酮
CAS Number
2719-21-3
EC Number
220-320-6
MDL Number
MFCD00014965
Beilstein Number
639749
PubChem SID
162076069
24882415
PubChem CID
75937

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.807572  H Acceptors
H Donor LogD (pH = 5.5) 0.7686037 
LogD (pH = 7.4) 0.76860356  Log P 0.7686037 
Molar Refractivity 51.3238 cm3 Polarizability 18.941814 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
164-166°C expand Show data source
166-170 °C(lit.) expand Show data source
166-172°C expand Show data source
171 - 173°C expand Show data source
Hydrophobicity(logP)
1.069 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
43 expand Show data source
Safety Statements
26-37 expand Show data source
37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H317 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
CH3CONHC6H4COCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 631361 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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