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1138443-87-4 molecular structure
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6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine

ChemBase ID: 32510
Molecular Formular: C14H25NO3Si
Molecular Mass: 283.4387
Monoisotopic Mass: 283.1603702
SMILES and InChIs

SMILES:
c1(c(nc(cc1)CO[Si](C(C)(C)C)(C)C)OC)OC
Canonical SMILES:
COc1nc(ccc1OC)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C14H25NO3Si/c1-14(2,3)19(6,7)18-10-11-8-9-12(16-4)13(15-11)17-5/h8-9H,10H2,1-7H3
InChIKey:
ANUDVRIMTVJPLR-UHFFFAOYSA-N

Cite this record

CBID:32510 http://www.chembase.cn/molecule-32510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine
IUPAC Traditional name
6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine
Synonyms
6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
CAS Number
1138443-87-4
MDL Number
MFCD11857656
PubChem SID
160995817
PubChem CID
46736755

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1063566  LogD (pH = 7.4) 3.1063995 
Log P 3.1064  Molar Refractivity 73.2828 cm3
Polarizability 30.986578 Å3 Polar Surface Area 40.58 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)
C14H25NO3Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000518 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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