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Molecule
Tetraethylammonium Perchlorate
CAS: 2567-83-1 · C8H20ClNO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2567-83-1
- Molecular Formula
- C8H20ClNO4
- Molecular Mass
- 229.70 g/mol
Identifiers
CAS Registry Number
2567-83-1
SMILES
CC[N+](CC)(CC)CC.[O-][Cl+3]([O-])([O-])[O-]
InChI Key
WGHUNMFFLAMBJD-UHFFFAOYSA-M
InChI
InChI=1S/C8H20N.ClHO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
Names and Synonyms
- Tetraethylammonium Perchlorate Synonym
- Ethanaminium, N,N,N-triethyl-, perchlorate (1:1) Synonym
- Ammonium, tetraethyl-, perchlorate Synonym
- Tetraethylammonium perchlorate Synonym
- Ethanaminium, N,N,N-triethyl-, perchlorate Synonym
- NSC 220061 Synonym
- TEAP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.70 g/mol | CAS Common Chemistry |
| 229.70399999999998 g/mol | RDKit | |
| 229.704 g/mol | RDKit | |
| 229.701 g/mol | chempirical lib | |
| Canonical SMILES | O=Cl(=O)(=O)[O-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.ClHO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WGHUNMFFLAMBJD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Tetraethylammonium perchlorate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.24 Ų | RDKit |
| LogP | -2.8731999999999953 | RDKit |
| -2.8732 | RDKit | |
| Molar Refractivity | 42.424400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 229.1080858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 229.70 g/mol. Edit any field — others recompute live.
