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Molecule
Tetrapropylammonium Hydroxide
CAS: 4499-86-9 · C12H29NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4499-86-9
- Molecular Formula
- C12H29NO
- Molecular Mass
- 203.37 g/mol
Identifiers
CAS Registry Number
4499-86-9
SMILES
CCC[N+](CCC)(CCC)CCC.[OH-]
InChI Key
LPSKDVINWQNWFE-UHFFFAOYSA-M
InChI
InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1
Names and Synonyms
- Tetrapropylammonium Hydroxide Common Name
- 1-Propanaminium, N,N,N-tripropyl-, hydroxide (1:1) Synonym
- Ammonium, tetrapropyl-, hydroxide Synonym
- Tetrapropylammonium hydroxide Synonym
- 1-Propanaminium, N,N,N-tripropyl-, hydroxide Synonym
- Tetrapropylammonium oxide Synonym
- Tetra-n-propylammonium hydroxide Synonym
- Fluka 88110 Synonym
- TPAOH Synonym
- TPAH 40 Synonym
- Tetrarapropylammonium hydroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.37 g/mol | CAS Common Chemistry |
| 203.36999999999995 g/mol | RDKit | |
| Canonical SMILES | [OH-].CCC[N+](CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LPSKDVINWQNWFE-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Tetrapropylammonium hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 3.2664000000000017 | RDKit |
| 3.2664 | RDKit | |
| Molar Refractivity | 62.828200000000066 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 203.224914548 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 |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| 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 = 203.37 g/mol. Edit any field — others recompute live.
