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Trimethylphenylammonium Hydroxide
CAS: 1899-02-1 | C9H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1899-02-1
Molecular Formula:
C9H15NO
Molecular Weight:
153.22499999999997 g/mol
Names and Synonyms:
Trimethylphenylammonium Hydroxide
N,N,N-Trimethylphenylammonium hydroxide
N,N,N-Trimethyl-N-phenylammonium hydroxide
TMAH
N,N,N-Trimethylanilinium hydroxide
Methelute
Phenyltrimethylammonium hydroxide
Trimethylanilinium hydroxide
Trimethylphenylammonium hydroxide
Benzenaminium, N,N,N-trimethyl-, hydroxide
Ammonium, trimethylphenyl-, hydroxide
Benzenaminium, N,N,N-trimethyl-, hydroxide (1:1)
Identifiers:
SMILES:
C[N+](C)(C)c1ccccc1.[OH-]
InChI:
InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.22 g/mol | Legacy Database |
| cas-canonical-smile | [OH-].C=1C=CC(=CC1)[N+](C)(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1 | Legacy Database | |
| cas-inchi-key | InChIKey=HADKRTWCOYPCPH-UHFFFAOYSA-M | Legacy Database | |
| cas-name | Trimethylphenylammonium hydroxide | Legacy Database | |
| LogP | 1.7065 | RDKit | |
| Molecular | Molecular Weight | 153.22499999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.1153641 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 30.0 Ų | RDKit |
| Molar | Molar Refractivity | 47.94380000000004 | RDKit |
