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5202-78-8 molecular structure
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N-ethenylacetamide

ChemBase ID: 138457
Molecular Formular: C4H7NO
Molecular Mass: 85.10448
Monoisotopic Mass: 85.05276385
SMILES and InChIs

SMILES:
CC(=O)NC=C
Canonical SMILES:
CC(=O)NC=C
InChI:
InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)
InChIKey:
RQAKESSLMFZVMC-UHFFFAOYSA-N

Cite this record

CBID:138457 http://www.chembase.cn/molecule-138457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethenylacetamide
IUPAC Traditional name
N-ethenylacetamide
Synonyms
N-Vinylacetamide
N-乙烯基乙酰胺
CAS Number
5202-78-8
EC Number
225-989-8
MDL Number
MFCD00081205
PubChem SID
162232713
PubChem CID
78875

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
522422 external link Add to cart Please log in.
Data Source Data ID
PubChem 78875 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.299182  H Acceptors
H Donor LogD (pH = 5.5) -0.30193785 
LogD (pH = 7.4) -0.3019379  Log P -0.30193785 
Molar Refractivity 23.0548 cm3 Polarizability 9.068256 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
water and various organic solvents: soluble expand Show data source
Melting Point
51-54 °C(lit.) expand Show data source
Flash Point
109 °C expand Show data source
229 °F expand Show data source
European Hazard Symbols
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
22-36/38 expand Show data source
Safety Statements
26-36 expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3CONHCH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 522422 external link
Features and Benefits
Nonionic monomer

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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