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1087659-17-3 molecular structure
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4,5-dimethoxypyridin-3-amine

ChemBase ID: 32475
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
c1(cncc(c1OC)N)OC
Canonical SMILES:
COc1c(OC)cncc1N
InChI:
InChI=1S/C7H10N2O2/c1-10-6-4-9-3-5(8)7(6)11-2/h3-4H,8H2,1-2H3
InChIKey:
KOSAVBLGLHXMDI-UHFFFAOYSA-N

Cite this record

CBID:32475 http://www.chembase.cn/molecule-32475.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dimethoxypyridin-3-amine
IUPAC Traditional name
4,5-dimethoxypyridin-3-amine
Synonyms
4,5-Dimethoxypyridin-3-amine
4,5-Dimethoxypyridin-3-amine
CAS Number
1087659-17-3
MDL Number
MFCD11052856
PubChem SID
160995782
PubChem CID
45361751

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1115683  LogD (pH = 7.4) -0.43217316 
Log P -0.3886951  Molar Refractivity 41.5279 cm3
Polarizability 15.632104 Å3 Polar Surface Area 57.37 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)
C7H10N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000479 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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INTERNET

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