Home > Compound List > Compound details
3125-07-3 molecular structure
click picture or here to close

tetraoctylazanium chloride

ChemBase ID: 151991
Molecular Formular: C32H68ClN
Molecular Mass: 502.34202
Monoisotopic Mass: 501.50402886
SMILES and InChIs

SMILES:
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
Canonical SMILES:
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
InChI:
InChI=1S/C32H68N.ClH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKey:
SNNIPOQLGBPXPS-UHFFFAOYSA-M

Cite this record

CBID:151991 http://www.chembase.cn/molecule-151991.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetraoctylazanium chloride
IUPAC Traditional name
tetraoctylazanium chloride
Synonyms
Tetraoctylammonium chloride
四辛基氯化铵
CAS Number
3125-07-3
MDL Number
MFCD00210102
Beilstein Number
4169201
PubChem SID
162246137
24889026
PubChem CID
11996614

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
87991 external link Add to cart Please log in.
Data Source Data ID
PubChem 11996614 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.436527  LogD (pH = 7.4) 8.436527 
Log P 8.436527  Molar Refractivity 165.0121 cm3
Polarizability 61.286617 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 28  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
50-54 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 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
≥97.0% (AT) expand Show data source
Linear Formula
[CH3(CH2)7]4N(Cl) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87991 external link
Packaging
5 g in glass bottle

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