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6145-18-2 molecular structure
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(13C)ethene

ChemBase ID: 138269
Molecular Formular: C2H4
Molecular Mass: 29.04581484
Monoisotopic Mass: 29.03465497
SMILES and InChIs

SMILES:
C=[13CH2]
Canonical SMILES:
[13CH2]=C
InChI:
InChI=1S/C2H4/c1-2/h1-2H2/i1+1
InChIKey:
VGGSQFUCUMXWEO-OUBTZVSYSA-N

Cite this record

CBID:138269 http://www.chembase.cn/molecule-138269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C)ethene
IUPAC Traditional name
(13C)ethene
Synonyms
Ethene-13C1
Ethylene-13C1
乙撑-13C1
乙烯-13C1
CAS Number
6145-18-2
MDL Number
MFCD00083965
PubChem SID
162232526
PubChem CID
12242923

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
489344 external link Add to cart Please log in.
Data Source Data ID
PubChem 12242923 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1068089  LogD (pH = 7.4) 1.1068089 
Log P 1.1068089  Molar Refractivity 9.9758 cm3
Polarizability 4.227136 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-169 °C(lit.) expand Show data source
Boiling Point
-104 °C(lit.) expand Show data source
Flash Point
-20 °C expand Show data source
-4 °F expand Show data source
Auto Ignition Point
842 °F expand Show data source
Vapor Pressure
35.04 atm ( 20 °C) expand Show data source
Vapor Density
0.97 (vs air) expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1962 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
nwg expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12-67 expand Show data source
Safety Statements
9-16-33-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H220-H280-H336 expand Show data source
GHS Precautionary statements
P210-P261-P410 + P403 expand Show data source
RID/ADR
UN 1962 2.1 expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Mol. Weight
mol wt 29.04 by atom % calculation expand Show data source
Linear Formula
H2C=13CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 489344 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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