Home > Compound List > Compound details
326496-01-9 molecular structure
click picture or here to close

5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine

ChemBase ID: 163051
Molecular Formular: C14H25BrN2OSi
Molecular Mass: 345.3506
Monoisotopic Mass: 344.09195196
SMILES and InChIs

SMILES:
c1(cnc(cc1)N(CCO[Si](C)(C)C(C)(C)C)C)Br
Canonical SMILES:
Brc1ccc(nc1)N(CCO[Si](C(C)(C)C)(C)C)C
InChI:
InChI=1S/C14H25BrN2OSi/c1-14(2,3)19(5,6)18-10-9-17(4)13-8-7-12(15)11-16-13/h7-8,11H,9-10H2,1-6H3
InChIKey:
WVTIXZIWALRKBZ-UHFFFAOYSA-N

Cite this record

CBID:163051 http://www.chembase.cn/molecule-163051.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
IUPAC Traditional name
5-bromo-N-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-N-methylpyridin-2-amine
Synonyms
(5-Bromopyridin-2-yl)[2-(tert-butyldimethylsilyloxy)ethyl]methylamine
5-Bromo-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-N-methyl-2-pyridinamine
CAS Number
326496-01-9
PubChem SID
162257186
PubChem CID
53411491

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B686790 external link Add to cart
PubChem 53411491 external link
Data Source Data ID Price
TRC
B686790 external link Add to cart Please log in.
Data Source Data ID
PubChem 53411491 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5510745  LogD (pH = 7.4) 4.609106 
Log P 4.6099  Molar Refractivity 82.4064 cm3
Polarizability 33.512512 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle