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2138-24-1 molecular structure
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tetrahexylazanium iodide

ChemBase ID: 152105
Molecular Formular: C24H52IN
Molecular Mass: 481.58085
Monoisotopic Mass: 481.31444867
SMILES and InChIs

SMILES:
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]
Canonical SMILES:
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]
InChI:
InChI=1S/C24H52N.HI/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKey:
VRKHAMWCGMJAMI-UHFFFAOYSA-M

Cite this record

CBID:152105 http://www.chembase.cn/molecule-152105.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrahexylazanium iodide
IUPAC Traditional name
tetrahexylazanium iodide
Synonyms
Tetra-n-hexylammonium iodide
Tetrahexylammonium iodide
四正己基碘化铵
四己基碘化铵
CAS Number
2138-24-1
EC Number
218-382-4
MDL Number
MFCD00041981
Beilstein Number
4164997
PubChem SID
162246250
24888883
PubChem CID
75056

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75056 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.879978  LogD (pH = 7.4) 4.879978 
Log P 4.879978  Molar Refractivity 128.2041 cm3
Polarizability 46.510445 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 20  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
99-101 °C expand Show data source
99-105°C expand Show data source
Storage Warning
Hygroscopic 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
26-37 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (AT) expand Show data source
99% expand Show data source
Linear Formula
[CH3(CH2)5]4N(I) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87307 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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