Home > Compound List > Compound details
5538-94-3 molecular structure
click picture or here to close

dimethyldioctylazanium chloride

ChemBase ID: 287199
Molecular Formular: C18H40ClN
Molecular Mass: 305.9699
Monoisotopic Mass: 305.28492797
SMILES and InChIs

SMILES:
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
Canonical SMILES:
CCCCCCCC[N+](CCCCCCCC)(C)C.[Cl-]
InChI:
InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKey:
FARBQUXLIQOIDY-UHFFFAOYSA-M

Cite this record

CBID:287199 http://www.chembase.cn/molecule-287199.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyldioctylazanium chloride
IUPAC Traditional name
dimethyldioctylazanium chloride
Synonyms
N,N-Dimethyl-N-octyloctan-1-aminium chloride
CAS Number
5538-94-3
MDL Number
MFCD01711139
PubChem SID
180672730
PubChem CID
62581

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD125757 Please log in.
Data Source Data ID
PubChem 62581 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.23218  LogD (pH = 7.4) 2.23218 
Log P 2.23218  Molar Refractivity 100.4569 cm3
Polarizability 35.428406 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 14  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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