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1142191-61-4 molecular structure
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6-(dimethoxymethyl)-2,3-dimethoxypyridine

ChemBase ID: 32952
Molecular Formular: C10H15NO4
Molecular Mass: 213.2304
Monoisotopic Mass: 213.10010797
SMILES and InChIs

SMILES:
c1(c(nc(cc1)C(OC)OC)OC)OC
Canonical SMILES:
COC(c1ccc(c(n1)OC)OC)OC
InChI:
InChI=1S/C10H15NO4/c1-12-8-6-5-7(10(14-3)15-4)11-9(8)13-2/h5-6,10H,1-4H3
InChIKey:
AJJXKTWRPZBQJP-UHFFFAOYSA-N

Cite this record

CBID:32952 http://www.chembase.cn/molecule-32952.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethoxymethyl)-2,3-dimethoxypyridine
IUPAC Traditional name
6-(dimethoxymethyl)-2,3-dimethoxypyridine
Synonyms
6-(Dimethoxymethyl)-2,3-dimethoxypyridine
6-(Dimethoxymethyl)-2,3-dimethoxypyridine
CAS Number
1142191-61-4
MDL Number
MFCD11857666
PubChem SID
160996259
PubChem CID
46736826

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3463191  LogD (pH = 7.4) 1.3463237 
Log P 1.3463238  Molar Refractivity 54.1355 cm3
Polarizability 21.421223 Å3 Polar Surface Area 49.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C10H15NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000529 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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