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1186405-19-5 molecular structure
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N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine

ChemBase ID: 44978
Molecular Formular: C11H14N2O2Si
Molecular Mass: 234.32656
Monoisotopic Mass: 234.08245423
SMILES and InChIs

SMILES:
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)/C=N/O
Canonical SMILES:
O/N=C/c1cnc2c(c1)oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C11H14N2O2Si/c1-16(2,3)11-5-9-10(15-11)4-8(6-12-9)7-13-14/h4-7,14H,1-3H3/b13-7+
InChIKey:
CQNPYIXCRNPAEL-NTUHNPAUSA-N

Cite this record

CBID:44978 http://www.chembase.cn/molecule-44978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
(E)-N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
IUPAC Traditional name
N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
(E)-N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
Synonyms
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde oxime
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde oxime
CAS Number
1186405-19-5
MDL Number
MFCD12922803
PubChem SID
162049741
PubChem CID
46737943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.5769615  H Acceptors
H Donor LogD (pH = 5.5) 2.5762966 
LogD (pH = 7.4) 2.5738294  Log P 2.5767 
Molar Refractivity 58.0928 cm3 Polarizability 25.522686 Å3
Polar Surface Area 58.62 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
Empirical Formula (Hill Notation)
C11H14N2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001183 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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