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4499-86-9 molecular structure
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tetrapropylazanium hydroxide

ChemBase ID: 104695
Molecular Formular: C12H29NO
Molecular Mass: 203.36476
Monoisotopic Mass: 203.22491455
SMILES and InChIs

SMILES:
[OH-].CCC[N+](CCC)(CCC)CCC
Canonical SMILES:
CCC[N+](CCC)(CCC)CCC.[OH-]
InChI:
InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1
InChIKey:
LPSKDVINWQNWFE-UHFFFAOYSA-M

Cite this record

CBID:104695 http://www.chembase.cn/molecule-104695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrapropylazanium hydroxide
tetrapropylazanium oxidanide
IUPAC Traditional name
tetrapropylammonium oxidanide
tetrapropylammonium hydroxide
tetrapropylammonium OH-
Synonyms
TPAH
Tetra-n-propylammonium hydroxide
Tetrapropylammonium hydroxide solution
Tetra-n-propylammonium hydroxide, 1M aq. soln.
TETRAPROPYLAMMONIUM HYDROXIDE
四正丙基氢氧化铵
四丙基氢氧化铵 溶液
四正丙基氢氧化铵, 1M 水溶液
CAS Number
4499-86-9
EC Number
224-800-6
MDL Number
MFCD00009360
Beilstein Number
4207983
PubChem SID
24889056
162092271
24855391
PubChem CID
20586

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.45484576  LogD (pH = 7.4) -0.45484576 
Log P -0.45484576  Molar Refractivity 72.9921 cm3
Polarizability 24.346558 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
102°C expand Show data source
Density
0.99 expand Show data source
1.00 expand Show data source
1.00 g/mL at 20 °C expand Show data source
1.01 g/ml expand Show data source
1.012 g/mL at 25 °C expand Show data source
Refractive Index
1.3716 expand Show data source
n20/D 1.370 expand Show data source
n20/D 1.3716 expand Show data source
Absorption Wavelength
λ: 230 nm Amax: 0.10 expand Show data source
λ: 240 nm Amax: 0.03 expand Show data source
λ: 250 nm Amax: 0.02 expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
BS8400000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3267 expand Show data source
UN3267 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-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 3267 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
40% w/w aq. soln. expand Show data source
Concentration
~20% in H2O (~1.0 M) expand Show data source
1.0 M in H2O expand Show data source
1M aq. soln. expand Show data source
Grade
for ion pair chromatography expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
corresponds to standard for filter test expand Show data source
corresponds to standard for RP gradient test expand Show data source
Impurities
≤0.1% halides (as bromide) expand Show data source
≤3% halides (as bromide) expand Show data source
Antion Traces
sulfate (SO42-): ≤1000 mg/kg expand Show data source
λ
in concentrate expand Show data source
Linear Formula
(CH3CH2CH2)4N(OH) expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156837 external link
1.0 M Aqueous solution
1 ml = approx. 1.01 g
Sigma Aldrich - 88109 external link
Packaging
concentrate to prepare 6x1 l of 0.005 M ready-to-use solution
Sigma Aldrich - 88111 external link
Other Notes
Base used in titrations1; Used in the preparation of silica-alumina catalysts of controlled pore size2; Synthesis of zeolites3,4
Sigma Aldrich - 254533 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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