Home > Compound List > Compound details
471907-87-6 molecular structure
click picture or here to close

1-methyl-3-tetradecyl-1H-imidazol-3-ium bromide

ChemBase ID: 798285
Molecular Formular: C18H35BrN2
Molecular Mass: 359.3879
Monoisotopic Mass: 358.19836113
SMILES and InChIs

SMILES:
[n+]1(cn(cc1)C)CCCCCCCCCCCCCC.[Br-]
Canonical SMILES:
CCCCCCCCCCCCCC[n+]1ccn(c1)C.[Br-]
InChI:
InChI=1S/C18H35N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;/h16-18H,3-15H2,1-2H3;1H/q+1;/p-1
InChIKey:
ZKPSZHWFVLHSJM-UHFFFAOYSA-M

Cite this record

CBID:798285 http://www.chembase.cn/molecule-798285.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-3-tetradecyl-1H-imidazol-3-ium bromide
IUPAC Traditional name
3-methyl-1-tetradecylimidazol-1-ium bromide
Synonyms
1-tetradecyl-3-methylimidazolium bromide
CAS Number
471907-87-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10797 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10797 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) 2.2997093  LogD (pH = 7.4) 2.2997093 
Log P 2.2997093  Molar Refractivity 88.7363 cm3
Polarizability 34.899952 Å3 Polar Surface Area 8.81 Å2
Rotatable Bonds 13  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