Home > Compound List > Compound details
648424-43-5 molecular structure
click picture or here to close

3-hexyl-1-methyl-1H-imidazol-3-ium perchlorate

ChemBase ID: 798339
Molecular Formular: C10H19ClN2O4
Molecular Mass: 266.72186
Monoisotopic Mass: 266.10333478
SMILES and InChIs

SMILES:
[Cl](=O)(=O)(=O)[O-].[n+]1(cn(cc1)C)CCCCCC
Canonical SMILES:
[O-][Cl](=O)(=O)=O.CCCCCC[n+]1ccn(c1)C
InChI:
InChI=1S/C10H19N2.ClHO4/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)5/h8-10H,3-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey:
HRDHTFKZNXXITK-UHFFFAOYSA-M

Cite this record

CBID:798339 http://www.chembase.cn/molecule-798339.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hexyl-1-methyl-1H-imidazol-3-ium perchlorate
IUPAC Traditional name
1-hexyl-3-methylimidazolium perchlorate
Synonyms
1-hexyl-3-methylimidazolium perchlorate
CAS Number
648424-43-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10943 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10943 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) -1.2568401  LogD (pH = 7.4) -1.2568401 
Log P -1.2568401  Molar Refractivity 51.9283 cm3
Polarizability 20.13241 Å3 Polar Surface Area 8.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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