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34851-41-7 molecular structure
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tetrabutylazanium methanolate

ChemBase ID: 152626
Molecular Formular: C17H39NO
Molecular Mass: 273.49766
Monoisotopic Mass: 273.30316487
SMILES and InChIs

SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.C[O-]
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.C[O-]
InChI:
InChI=1S/C16H36N.CH3O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;1H3/q+1;-1
InChIKey:
HPVRLMGCBINLBH-UHFFFAOYSA-N

Cite this record

CBID:152626 http://www.chembase.cn/molecule-152626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrabutylazanium methanolate
IUPAC Traditional name
methoxide; tetrabutylammonium
Synonyms
Tetrabutylammonium methoxide solution
四丁基甲醇铵 溶液
CAS Number
34851-41-7
MDL Number
MFCD00674548
Beilstein Number
4597539
PubChem SID
162246770
24888819
PubChem CID
11346348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
86906 external link Add to cart Please log in.
Data Source Data ID
PubChem 11346348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3234289  LogD (pH = 7.4) 1.3234289 
Log P 1.3234289  Molar Refractivity 91.3961 cm3
Polarizability 31.734425 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

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
20% in methanol (NT) expand Show data source
Impurities
≤0.01% halides (as bromide) expand Show data source
Antion Traces
sulfate (SO42-): ≤500 mg/kg expand Show data source
Linear Formula
(CH3CH2CH2CH2)4N(OCH3) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 86906 external link
Packaging
50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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