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14529-53-4 molecular structure
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2-ethoxypyridine

ChemBase ID: 88389
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
n1c(cccc1)OCC
Canonical SMILES:
CCOc1ccccn1
InChI:
InChI=1S/C7H9NO/c1-2-9-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKey:
LISKAOIANGDBTB-UHFFFAOYSA-N

Cite this record

CBID:88389 http://www.chembase.cn/molecule-88389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxypyridine
IUPAC Traditional name
2-ethoxypyridine
Synonyms
2-Ethoxypyridine
2-Ethoxypyridine
2-乙氧基吡啶
CAS Number
14529-53-4
EC Number
238-553-7
MDL Number
MFCD00023464
Beilstein Number
111115
PubChem SID
162075348
PubChem CID
84499

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5480497  LogD (pH = 7.4) 1.5491536 
Log P 1.5491676  Molar Refractivity 35.4264 cm3
Polarizability 13.790207 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
155-156°C expand Show data source
155-156°C expand Show data source
Flash Point
52°C expand Show data source
52°C(126°F) expand Show data source
Density
1.009 expand Show data source
Refractive Index
1.4960 expand Show data source
Storage Warning
Flammable/Irritant/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
94% expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210749 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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