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Tetrabutylammonium Hydroxide
CAS: 2052-49-5 | C16H37NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2052-49-5
Molecular Formula:
C16H37NO
Molecular Mass:
259.48 g/mol
Names and Synonyms:
Tetrabutylammonium Hydroxide
1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1)
Ammonium, tetrabutyl-, hydroxide
Tetrabutylammonium hydroxide
1-Butanaminium, N,N,N-tributyl-, hydroxide
Tetra-n-butylammonium hydroxide
TBAH 40
Identifiers:
SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.[OH-]
InChI:
InChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
Key Properties
Melting Point
26-28 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.48 g/mol | CAS Common Chemistry |
| 259.4779999999999 g/mol | RDKit | |
| 259.287514804 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrabutylammonium_hydroxide | CAS Common Chemistry |
| Canonical SMILES | [OH-].CCCC[N+](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VDZOOKBUILJEDG-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 26-28 °C | CAS Common Chemistry |
| Name | Tetrabutylammonium hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 4.826800000000005 | RDKit |
| Molar Refractivity | 81.29620000000007 | RDKit |
