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Glycidyltrimethylammonium Chloride
CAS: 3033-77-0 | C6H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3033-77-0
Molecular Formula:
C6H14ClNO
Molecular Mass:
151.64 g/mol
Names and Synonyms:
Glycidyltrimethylammonium Chloride
2-Oxiranemethanaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, (2,3-epoxypropyl)trimethyl-, chloride
Oxiranemethanaminium, N,N,N-trimethyl-, chloride
(2,3-Epoxypropyl)trimethylammonium chloride
Glycidyltrimethylammonium chloride
1-(Trimethylammonio)-2,3-epoxypropane chloride
(β,γ-Epoxypropyl)trimethylammonium chloride
Trimethylglycidylammonium chloride
N-Glycidyl-N,N,N-trimethylammonium chloride
Glytac A 100
1,2-Epoxy-3-(trimethylammonio)propyl chloride
Glytac
G-MAC
Glytac A
N-Glycidyltrimethylammonium chloride
Catiomaster G
QUAB 151
Wildye PTC
[(Trimethylammonio)methyl]oxirane chloride
Weisstex E 100
SY-GTA 80
ETA (onium compound)
ETA
NSC 51213
Raisacat 151
Fluka 50053
Identifiers:
SMILES:
C[N+](C)(C)CC1CO1.[Cl-]
InChI:
InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
Key Properties
Melting Point
137-139 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.64 g/mol | CAS Common Chemistry |
| 151.637 g/mol | RDKit | |
| 151.076391748 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 32.63939999999998 | RDKit |
