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Molecule
Trimethylphenylammonium Hydroxide
CAS: 1899-02-1 · C9H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1899-02-1
- Molecular Formula
- C9H15NO
- Molecular Mass
- 153.22 g/mol
Identifiers
CAS Registry Number
1899-02-1
SMILES
C[N+](C)(C)c1ccccc1.[OH-]
InChI Key
HADKRTWCOYPCPH-UHFFFAOYSA-M
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
Names and Synonyms
- Trimethylphenylammonium Hydroxide Common Name
- Benzenaminium, N,N,N-trimethyl-, hydroxide (1:1) Synonym
- Ammonium, trimethylphenyl-, hydroxide Synonym
- Benzenaminium, N,N,N-trimethyl-, hydroxide Synonym
- Trimethylphenylammonium hydroxide Synonym
- Trimethylanilinium hydroxide Synonym
- Phenyltrimethylammonium hydroxide Synonym
- Methelute Synonym
- N,N,N-Trimethylanilinium hydroxide Synonym
- TMAH Synonym
- N,N,N-Trimethyl-N-phenylammonium hydroxide Synonym
- N,N,N-Trimethylphenylammonium hydroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.22 g/mol | CAS Common Chemistry |
| 153.22499999999997 g/mol | RDKit | |
| 153.225 g/mol | RDKit | |
| Canonical SMILES | [OH-].C=1C=CC(=CC1)[N+](C)(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=HADKRTWCOYPCPH-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Trimethylphenylammonium hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 1.7065 | RDKit |
| Molar Refractivity | 47.94380000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 153.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 153.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H15NO.
