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13162-05-5 molecular structure
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N-ethenylformamide

ChemBase ID: 151035
Molecular Formular: C3H5NO
Molecular Mass: 71.0779
Monoisotopic Mass: 71.03711379
SMILES and InChIs

SMILES:
C=CNC=O
Canonical SMILES:
C=CNC=O
InChI:
InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)
InChIKey:
ZQXSMRAEXCEDJD-UHFFFAOYSA-N

Cite this record

CBID:151035 http://www.chembase.cn/molecule-151035.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethenylformamide
IUPAC Traditional name
N-ethenylformamide
Synonyms
N-Vinylformamide
N-乙烯基甲酰胺
CAS Number
13162-05-5
MDL Number
MFCD00081206
PubChem SID
162245194
24868334
PubChem CID
83191

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
447331 external link Add to cart Please log in.
Data Source Data ID
PubChem 83191 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.447113  H Acceptors
H Donor LogD (pH = 5.5) -0.35063657 
LogD (pH = 7.4) -0.3506366  Log P -0.35063657 
Molar Refractivity 18.5643 cm3 Polarizability 7.2341156 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)
Melting Point
-16 °C(lit.) expand Show data source
Boiling Point
210 °C(lit.) expand Show data source
Flash Point
102 °C expand Show data source
215.6 °F expand Show data source
Density
1.014 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.494(lit.) expand Show data source
Vapor Pressure
~0.1 mmHg ( 25 °C) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
61-22-37/38-41 expand Show data source
Safety Statements
53-26-39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335-H360D expand Show data source
GHS Precautionary statements
P201-P261-P280-P305 + P351 + P338-P308 + P313 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Contains
25-55 ppm 4-Hydroxy-TEMPO as stabilizer expand Show data source
Linear Formula
HCONHCH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 447331 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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