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1482-85-5 molecular structure
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(2H4)propa-1,2-diene

ChemBase ID: 136566
Molecular Formular: C3H4
Molecular Mass: 40.06386
Monoisotopic Mass: 40.03130013
SMILES and InChIs

SMILES:
C=C=C
Canonical SMILES:
C=C=C
InChI:
InChI=1S/C3H4/c1-3-2/h1-2H2
InChIKey:
IYABWNGZIDDRAK-UHFFFAOYSA-N

Cite this record

CBID:136566 http://www.chembase.cn/molecule-136566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H4)propa-1,2-diene
IUPAC Traditional name
(2H4)propa-1,2-diene
Synonyms
Propadiene-d4
丙二烯-d4
CAS Number
1482-85-5
MDL Number
MFCD01317351
PubChem SID
162230836
PubChem CID
15558634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
617148 external link Add to cart Please log in.
Data Source Data ID
PubChem 15558634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3437309  LogD (pH = 7.4) 1.3437309 
Log P 1.3437309  Molar Refractivity 14.2575 cm3
Polarizability 5.5100045 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)
Mass Shift
M+4 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
12 expand Show data source
Safety Statements
9-16-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H220-H280 expand Show data source
GHS Precautionary statements
P210-P410 + P403 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Linear Formula
D2C=C=CD2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 617148 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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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