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7463-31-2 molecular structure
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N-(3-acetylphenyl)acetamide

ChemBase ID: 91103
Molecular Formular: C10H11NO2
Molecular Mass: 177.19984
Monoisotopic Mass: 177.0789786
SMILES and InChIs

SMILES:
O=C(c1cc(ccc1)NC(=O)C)C
Canonical SMILES:
CC(=O)Nc1cccc(c1)C(=O)C
InChI:
InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey:
AFZTYHRVDOKRKV-UHFFFAOYSA-N

Cite this record

CBID:91103 http://www.chembase.cn/molecule-91103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-acetylphenyl)acetamide
IUPAC Traditional name
M-acetylaminoacetophenone
Synonyms
3'-Acetylacetanilide
N-(3-Acetylphenyl)acetamide
3'-Acetamidoacetophenone 98%
3-Acetylacetanilide
3′-Acetamidoacetophenone
2-Acetamidoacetophenone
NSC 404340
3-Acetylacetanilide
3'-Acetamidoacetophenone
N,3-Diacetylaniline
3'-Acetamidoacetophenone
N-(3-acetylphenyl)acetamide
间乙酰氨基苯乙酮
3′-乙酰胺基苯乙酮
3'-乙酰氨基苯乙酮
CAS Number
7463-31-2
MDL Number
MFCD00032278
Beilstein Number
2363443
PubChem SID
24844984
162077807
PubChem CID
346202

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.040635  H Acceptors
H Donor LogD (pH = 5.5) 0.7686037 
LogD (pH = 7.4) 0.7686036  Log P 0.7686037 
Molar Refractivity 51.3238 cm3 Polarizability 18.942009 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)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Melting Point
125-129°C expand Show data source
125-130°C expand Show data source
127-130 °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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 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
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (GC) expand Show data source
95% expand Show data source
96% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.5% water expand Show data source
Empirical Formula (Hill Notation)
C10H11NO2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Banasik, M., et al.: J. Biol. Chem., 267, 1569 (1992)
  • • Dehmel, F., et al.: J. Med. Chem., 51, 3985 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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