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Molecule
Tetramethylammonium Perchlorate
CAS: 2537-36-2 · C4H12ClNO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2537-36-2
- Molecular Formula
- C4H12ClNO4
- Molecular Mass
- 173.60 g/mol
Identifiers
CAS Registry Number
2537-36-2
SMILES
C[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChI Key
ZCWKIFAQRXNZCH-UHFFFAOYSA-M
InChI
InChI=1S/C4H12N.ClHO4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;(H,2,3,4,5)/q+1;/p-1
Names and Synonyms
- Tetramethylammonium Perchlorate Synonym
- Methanaminium, N,N,N-trimethyl-, perchlorate (1:1) Synonym
- Ammonium, tetramethyl-, perchlorate Synonym
- Methanaminium, N,N,N-trimethyl-, perchlorate Synonym
- Tetramethylammonium perchlorate Synonym
- NSC 245090 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.60 g/mol | CAS Common Chemistry |
| 173.59599999999998 g/mol | RDKit | |
| 173.596 g/mol | RDKit | |
| 173.593 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethylammonium_perchlorate | CAS Common Chemistry |
| Canonical SMILES | O=Cl(=O)(=O)[O-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.ClHO4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;(H,2,3,4,5)/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZCWKIFAQRXNZCH-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | Tetramethylammonium perchlorate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.24 Ų | RDKit |
| LogP | -4.4335999999999975 | RDKit |
| -4.4336 | RDKit | |
| Molar Refractivity | 23.95639999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.045485544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
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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.
External Resources
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MW = 173.60 g/mol. Edit any field — others recompute live.
