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1073-23-0 molecular structure
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2,6-dimethylpyridin-1-ium-1-olate

ChemBase ID: 92345
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
[n+]1(c(cccc1C)C)[O-]
Canonical SMILES:
[O-][n+]1c(C)cccc1C
InChI:
InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey:
LIDGFHXPUOJZMK-UHFFFAOYSA-N

Cite this record

CBID:92345 http://www.chembase.cn/molecule-92345.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethylpyridin-1-ium-1-olate
IUPAC Traditional name
2,6-dimethylpyridin-1-ium-1-olate
Synonyms
2,6-Lutidine N-oxide
2,6-Dimethylpyridine N-oxide
2,6-LUTIDINE-N-OXIDE
2,6-Lutidine-N-oxide
2,6-Lutidine N-oxide
2,6-二甲基吡啶 N-氧化物
CAS Number
1073-23-0
EC Number
214-025-1
MDL Number
MFCD00039715
Beilstein Number
110551
PubChem SID
162079043
PubChem CID
14083

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.13845332  LogD (pH = 7.4) -0.13836876 
Log P -0.13836768  Molar Refractivity 36.8954 cm3
Polarizability 13.418068 Å3 Polar Surface Area 26.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
108-111°C/10mm expand Show data source
108-111°C/10mm expand Show data source
Density
1.102 expand Show data source
Refractive Index
1.5685 expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic/Store under Argon expand Show data source
Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05214151 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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