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1142191-65-8 molecular structure
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4-methoxy-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine

ChemBase ID: 32953
Molecular Formular: C11H16N2OSi
Molecular Mass: 220.34304
Monoisotopic Mass: 220.10318967
SMILES and InChIs

SMILES:
c1cnc(c(c1OC)C#C[Si](C)(C)C)N
Canonical SMILES:
COc1ccnc(c1C#C[Si](C)(C)C)N
InChI:
InChI=1S/C11H16N2OSi/c1-14-10-5-7-13-11(12)9(10)6-8-15(2,3)4/h5,7H,1-4H3,(H2,12,13)
InChIKey:
YMEMZSDPPMVKEZ-UHFFFAOYSA-N

Cite this record

CBID:32953 http://www.chembase.cn/molecule-32953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
IUPAC Traditional name
4-methoxy-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
Synonyms
4-Methoxy-3-((trimethylsilyl)ethynyl)pyridin-2-amine
4-Methoxy-3-((trimethylsilyl)ethynyl)pyridin-2-amine
CAS Number
1142191-65-8
MDL Number
MFCD11857672
PubChem SID
160996260
PubChem CID
46736827

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8295017  LogD (pH = 7.4) 2.0948923 
Log P 2.3966  Molar Refractivity 55.6148 cm3
Polarizability 24.121258 Å3 Polar Surface Area 48.14 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)
C11H16N2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000535 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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