Home > Compound List > Compound details
86847-63-4 molecular structure
click picture or here to close

2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-2-yl]propanamide

ChemBase ID: 16270
Molecular Formular: C13H22N2OSi
Molecular Mass: 250.41208
Monoisotopic Mass: 250.15013987
SMILES and InChIs

SMILES:
c1cnc(c(c1)[Si](C)(C)C)NC(=O)C(C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)Nc1ncccc1[Si](C)(C)C
InChI:
InChI=1S/C13H22N2OSi/c1-13(2,3)12(16)15-11-10(17(4,5)6)8-7-9-14-11/h7-9H,1-6H3,(H,14,15,16)
InChIKey:
WJGJZDHOKCDEGB-UHFFFAOYSA-N

Cite this record

CBID:16270 http://www.chembase.cn/molecule-16270.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-2-yl]propanamide
IUPAC Traditional name
2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-2-yl]propanamide
Synonyms
2,2-Dimethyl-N-(3-trimethylsilanyl-pyridin-2-yl)-propionamide
2,2-Dimethyl-N-(3-trimethylsilanyl-pyridin-2-yl)-propionamide
CAS Number
86847-63-4
MDL Number
MFCD05663517
PubChem SID
160979577
PubChem CID
15914609

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.014955  H Acceptors
H Donor LogD (pH = 5.5) 4.1837916 
LogD (pH = 7.4) 4.198893  Log P 4.1991 
Molar Refractivity 68.8436 cm3 Polarizability 28.292671 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
101.4-101.5°C expand Show data source
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
98% expand Show data source
Empirical Formula (Hill Notation)
C13H22N2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000272 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

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