Home > Compound List > Compound details
81452-04-2 molecular structure
click picture or here to close

1-[dimethyl(propan-2-yl)silyl]-1H-imidazole

ChemBase ID: 798380
Molecular Formular: C8H16N2Si
Molecular Mass: 168.31154
Monoisotopic Mass: 168.10827505
SMILES and InChIs

SMILES:
n1(cncc1)[Si](C)(C)C(C)C
Canonical SMILES:
CC([Si](n1cncc1)(C)C)C
InChI:
InChI=1S/C8H16N2Si/c1-8(2)11(3,4)10-6-5-9-7-10/h5-8H,1-4H3
InChIKey:
OCUUDCWEKWOMFA-UHFFFAOYSA-N

Cite this record

CBID:798380 http://www.chembase.cn/molecule-798380.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[dimethyl(propan-2-yl)silyl]-1H-imidazole
IUPAC Traditional name
1-(isopropyldimethylsilyl)imidazole
Synonyms
1-(isopropyldimethylsilyl)imidazole
CAS Number
81452-04-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11053 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11053 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8119429  LogD (pH = 7.4) 1.4595842 
Log P 1.6116  Molar Refractivity 46.0756 cm3
Polarizability 19.282217 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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