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5223-06-3 molecular structure
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2-(5-ethylpyridin-2-yl)ethan-1-ol

ChemBase ID: 42389
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
n1c(CCO)ccc(c1)CC
Canonical SMILES:
OCCc1ccc(cn1)CC
InChI:
InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3
InChIKey:
OUJMXIPHUCDRAS-UHFFFAOYSA-N

Cite this record

CBID:42389 http://www.chembase.cn/molecule-42389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-ethylpyridin-2-yl)ethan-1-ol
IUPAC Traditional name
2-(5-ethylpyridin-2-yl)ethanol
Synonyms
2-(5-Ethyl-2-pyridinyl)-1-ethanol
5-Ethyl-2-(2-hydroxyethyl)pyridine
5-Ethyl-2-(β-hydroxyethyl)pyridine
5-Ethyl-2-pyridineethanol
5-Ethyl-2-pyridineethanol
2-(5-Ethylpyridin-2-yl)ethanol
5-Ethyl-2-(2-hydroxyethyl)pyridine 99%
5-Ethyl-2-pyridylethanol
5-Ethyl-2-(2-hydroxyethyl)pyridine
5-乙基-2-(2-羟基乙基)吡啶
CAS Number
5223-06-3
EC Number
226-024-3
MDL Number
MFCD00129040
Beilstein Number
117340
PubChem SID
162047152
PubChem CID
78894

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.707443  H Acceptors
H Donor LogD (pH = 5.5) 0.9022901 
LogD (pH = 7.4) 1.2572813  Log P 1.2646983 
Molar Refractivity 44.5364 cm3 Polarizability 17.25779 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow Low Melting Solid expand Show data source
Melting Point
39-44°C expand Show data source
Boiling Point
102 - 104 °C @ 0.05mm Hg expand Show data source
102-104°C/0.05mm expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
UT3150000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
21-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Hazard statements
H311-H318-H303 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P361-P302+P352-P405-P501A expand Show data source
Purity
>95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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