Home > Compound List > Compound details
32680-30-1 molecular structure
click picture or here to close

tributyl(methyl)azanium oxidanide

ChemBase ID: 150998
Molecular Formular: C13H31NO
Molecular Mass: 217.39134
Monoisotopic Mass: 217.24056462
SMILES and InChIs

SMILES:
CCCC[N+](C)(CCCC)CCCC.[OH-]
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)C.[OH-]
InChI:
InChI=1S/C13H30N.H2O/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H2/q+1;/p-1
InChIKey:
QVOFCQBZXGLNAA-UHFFFAOYSA-M

Cite this record

CBID:150998 http://www.chembase.cn/molecule-150998.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(methyl)azanium oxidanide
IUPAC Traditional name
tributyl(methyl)azanium oxidanide
Synonyms
Methyltributylammonium hydroxide
Tributylmethylammonium hydroxide solution
甲基三丁基氢氧化铵
三丁基甲基氢氧化铵 溶液
CAS Number
32680-30-1
MDL Number
MFCD00043104
PubChem SID
24889409
162245157
24874261
PubChem CID
36208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 36208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.701068E-4  LogD (pH = 7.4) -4.701068E-4 
Log P -4.701068E-4  Molar Refractivity 77.5225 cm3
Polarizability 26.193508 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
yellow expand Show data source
Boiling Point
102 °C expand Show data source
Flash Point
132.8 °F expand Show data source
56 °C expand Show data source
Density
0.993 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.374 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
MSDS Link
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
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
GHS Precautionary statements
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 2920 8/PG 2 expand Show data source
Concentration
~40% in H2O (1.85 M) expand Show data source
20 wt. % in H2O expand Show data source
Grade
purum expand Show data source
Linear Formula
[CH3(CH2)3]3N(OH)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 522287 external link
Packaging
250 mL 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