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57340-65-5 molecular structure
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tetrakis(decyl)azanium oxidanide

ChemBase ID: 152319
Molecular Formular: C40H85NO
Molecular Mass: 596.109
Monoisotopic Mass: 595.66311635
SMILES and InChIs

SMILES:
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[OH-]
Canonical SMILES:
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[OH-]
InChI:
InChI=1S/C40H84N.H2O/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H2/q+1;/p-1
InChIKey:
ZYSDERHSJJEJDS-UHFFFAOYSA-M

Cite this record

CBID:152319 http://www.chembase.cn/molecule-152319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrakis(decyl)azanium oxidanide
IUPAC Traditional name
tetrakis(decyl)azanium oxidanide
Synonyms
Tetra-decylammonium hydroxide
Tetrakis(decyl)ammonium hydroxide solution
四癸基氢氧化铵 溶液
CAS Number
57340-65-5
MDL Number
MFCD00059217
PubChem SID
24888918
162246464
PubChem CID
14179033

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
87581 external link Add to cart Please log in.
Data Source Data ID
PubChem 14179033 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.993077  LogD (pH = 7.4) 11.993077 
Log P 11.993077  Molar Refractivity 201.8201 cm3
Polarizability 76.06285 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 36  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
11 °C expand Show data source
51.8 °F expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3286 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-23/24/25-34-39/23/24/25 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301 + H311 + H331-H314-H370 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3286 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
~10% in methanol (T) expand Show data source
Impurities
≤0.01% halides (as bromide) expand Show data source
Linear Formula
[CH3(CH2)9]4N(OH) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87581 external link
Packaging
25 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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