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3309-65-6 molecular structure
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N-(2-ethylphenyl)acetamide

ChemBase ID: 88974
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
N(c1c(cccc1)CC)C(=O)C
Canonical SMILES:
CCc1ccccc1NC(=O)C
InChI:
InChI=1S/C10H13NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey:
ZXOVAGUQXNXKHF-UHFFFAOYSA-N

Cite this record

CBID:88974 http://www.chembase.cn/molecule-88974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-ethylphenyl)acetamide
IUPAC Traditional name
2-ethylacetanilide
Synonyms
2-Ethylacetanilide 98%
CAS Number
3309-65-6
MDL Number
MFCD00034589
PubChem SID
162075860
PubChem CID
36332

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 36332 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.466853  H Acceptors
H Donor LogD (pH = 5.5) 2.1689463 
LogD (pH = 7.4) 2.1689463  Log P 2.1689463 
Molar Refractivity 50.5632 cm3 Polarizability 18.816032 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
112-114°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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