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Molecule
Glycidyltrimethylammonium Chloride
CAS: 3033-77-0 · C6H14ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3033-77-0
- Molecular Formula
- C6H14ClNO
- Molecular Mass
- 151.64 g/mol
Identifiers
CAS Registry Number
3033-77-0
SMILES
C[N+](C)(C)CC1CO1.[Cl-]
InChI Key
PUVAFTRIIUSGLK-UHFFFAOYSA-M
InChI
InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
Names and Synonyms
- Glycidyltrimethylammonium Chloride Synonym
- 2-Oxiranemethanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
- Ammonium, (2,3-epoxypropyl)trimethyl-, chloride Synonym
- Oxiranemethanaminium, N,N,N-trimethyl-, chloride Synonym
- (2,3-Epoxypropyl)trimethylammonium chloride Synonym
- Glycidyltrimethylammonium chloride Synonym
- 1-(Trimethylammonio)-2,3-epoxypropane chloride Synonym
- (β,γ-Epoxypropyl)trimethylammonium chloride Synonym
- Trimethylglycidylammonium chloride Synonym
- N-Glycidyl-N,N,N-trimethylammonium chloride Synonym
- Glytac A 100 Synonym
- 1,2-Epoxy-3-(trimethylammonio)propyl chloride Synonym
- Glytac Synonym
- G-MAC Synonym
- Glytac A Synonym
- N-Glycidyltrimethylammonium chloride Synonym
- Catiomaster G Synonym
- QUAB 151 Synonym
- Wildye PTC Synonym
- [(Trimethylammonio)methyl]oxirane chloride Synonym
- Weisstex E 100 Synonym
- SY-GTA 80 Synonym
- ETA (onium compound) Synonym
- ETA Synonym
- NSC 51213 Synonym
- Raisacat 151 Synonym
- Fluka 50053 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.64 g/mol | CAS Common Chemistry |
| 151.637 g/mol | RDKit | |
| 151.634 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O1CC1C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PUVAFTRIIUSGLK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 137-139 °C | CAS Common Chemistry |
| Name | Glycidyltrimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | -2.9045999999999967 | RDKit |
| -2.9046 | RDKit | |
| Molar Refractivity | 32.63939999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.076391748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
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MW = 151.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClNO.
