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500903-95-7 molecular structure
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5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine

ChemBase ID: 32525
Molecular Formular: C11H16N2Si
Molecular Mass: 204.34364
Monoisotopic Mass: 204.10827505
SMILES and InChIs

SMILES:
c1(cnc(c(c1)C#C[Si](C)(C)C)N)C
Canonical SMILES:
Cc1cnc(c(c1)C#C[Si](C)(C)C)N
InChI:
InChI=1S/C11H16N2Si/c1-9-7-10(11(12)13-8-9)5-6-14(2,3)4/h7-8H,1-4H3,(H2,12,13)
InChIKey:
NMFPYZARSQCPID-UHFFFAOYSA-N

Cite this record

CBID:32525 http://www.chembase.cn/molecule-32525.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
IUPAC Traditional name
5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
Synonyms
5-Methyl-3-((trimethylsilyl)ethynyl)pyridin-2-amine
5-Methyl-3-((trimethylsilyl)ethynyl)pyridin-2-amine
CAS Number
500903-95-7
MDL Number
MFCD11857671
PubChem SID
160995832
PubChem CID
11160024

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2318134  LogD (pH = 7.4) 3.0776877 
Log P 3.1165  Molar Refractivity 54.1928 cm3
Polarizability 23.371065 Å3 Polar Surface Area 38.91 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)
C11H16N2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000534 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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