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3700-67-2 molecular structure
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dimethyldioctadecylazanium bromide

ChemBase ID: 103208
Molecular Formular: C38H80BrN
Molecular Mass: 630.9525
Monoisotopic Mass: 629.54741357
SMILES and InChIs

SMILES:
[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C.[Br-]
InChI:
InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChIKey:
PSLWZOIUBRXAQW-UHFFFAOYSA-M

Cite this record

CBID:103208 http://www.chembase.cn/molecule-103208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyldioctadecylazanium bromide
IUPAC Traditional name
dimethyldioctadecylazanium bromide
Synonyms
Dimethyldioctadecylammonium bromide
DDA
Distearyldimethylammonium bromide
DIMETHYLDIOCTADECYL AMMONIUM BROMIDE
N,N-Dimethyl-N-octadecyloctadecan-1-aminium bromide
二甲基二(十八烷基)溴化铵
双十八烷基二甲基溴化铵
CAS Number
3700-67-2
EC Number
223-037-6
MDL Number
MFCD00041975
Beilstein Number
3580323
PubChem SID
24865032
24893713
162090549
PubChem CID
77293

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.123553  LogD (pH = 7.4) 11.123553 
Log P 11.123553  Molar Refractivity 192.4769 cm3
Polarizability 72.36879 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 34  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~160 °C expand Show data source
155°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26 expand Show data source
S:20-25-26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98% (TLC) expand Show data source
≥98.0% (AT) expand Show data source
≥99.0% expand Show data source
≥99.0% (T) expand Show data source
95% expand Show data source
95+% expand Show data source
Grade
purum expand Show data source
Selectophore™ expand Show data source
Certificate of Analysis
Download expand Show data source
Description
cationic expand Show data source
Linear Formula
[CH3(CH2)17]2N(Br)(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150939 external link
Reported to be a highly active agent for enhancement of the immune response. Acts as a substitute for Freund's Adjuvant.
Sigma Aldrich - D2779 external link
包装
10, 50 g in glass bottle
Sigma Aldrich - 40163 external link
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cancer Res. , 43 : 3633 (1983).
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PATENTS

PATENTS

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INTERNET

INTERNET

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