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Tetramethylammonium Hydroxide Pentahydrate
CAS: 10424-65-4 | C4H23NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10424-65-4
Molecular Formula:
C4H23NO6
Molecular Mass:
181.23 g/mol
Names and Synonyms:
Tetramethylammonium Hydroxide Pentahydrate
Methanaminium, N,N,N-trimethyl-, hydroxide, hydrate (1:1:5)
Methanaminium, N,N,N-trimethyl-, hydroxide, pentahydrate
Ammonium, tetramethyl-, hydroxide, pentahydrate
Tetramethylammonium hydroxide pentahydrate
Identifiers:
SMILES:
C[N+](C)(C)C.O.O.O.O.O.[OH-]
InChI:
InChI=1S/C4H12N.6H2O/c1-5(2,3)4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1
Key Properties
Melting Point
71 °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 | 181.23 g/mol | CAS Common Chemistry |
| 181.22899999999996 g/mol | RDKit | |
| 181.152537456 g/mol | RDKit | |
| Canonical SMILES | [OH-].O.C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.6H2O/c1-5(2,3)4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=MYXKPFMQWULLOH-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 71 °C | CAS Common Chemistry |
| Name | Tetramethylammonium hydroxide pentahydrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 187.5 Ų | RDKit |
| LogP | -3.977899999999998 | RDKit |
| Molar Refractivity | 43.96120000000001 | RDKit |
