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Molecule
(3-Chloro-2-Hydroxypropyl)Trimethylammonium Chloride
CAS: 3327-22-8 · C6H15Cl2NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3327-22-8
- Molecular Formula
- C6H15Cl2NO
- Molecular Mass
- 188.10 g/mol
Identifiers
CAS Registry Number
3327-22-8
SMILES
C[N+](C)(C)CC(O)CCl.[Cl-]
InChI Key
CSPHGSFZFWKVDL-UHFFFAOYSA-M
InChI
InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
Names and Synonyms
- (3-Chloro-2-Hydroxypropyl)Trimethylammonium Chloride Common Name
- 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) Synonym
- Ammonium, (3-chloro-2-hydroxypropyl)trimethyl-, chloride Synonym
- (3-Chloro-2-hydroxypropyl)trimethylammonium chloride Synonym
- 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride Synonym
- Trimethyl(2-hydroxy-3-chloropropyl)ammonium chloride Synonym
- (2-Hydroxy-3-chloropropyl)trimethylammonium chloride Synonym
- NT 21 Synonym
- 1-Chloro-3-(trimethylammonio)-2-propanol chloride Synonym
- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride Synonym
- Quat 188 Synonym
- Dextrosil Synonym
- Dextrosil KA Synonym
- Verolan KAF Synonym
- QUAB Synonym
- Dowquat 188 Synonym
- QUAB 188 Synonym
- Catiomaster C Synonym
- QUAB 218 Synonym
- COPA 60S Synonym
- N-(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride Synonym
- Vircotone ECO Synonym
- CR 2000 Synonym
- CR 2000 (fixative) Synonym
- NSC 51216 Synonym
- Reagens CFZ Synonym
- Catiomaster C 60 Synonym
- Cation Master C Synonym
- Reagens S-CFZ Synonym
- 1-Chloro-3-trimethylammonium-2-propanol chloride Synonym
- 1-Chloro-2-hydroxypropane-3-trimethylammonium chloride Synonym
- Reagens S Synonym
- HAC 65 Synonym
- CTA Synonym
- EcoFAST CR 2000 Synonym
- CTA 65 Synonym
- 3-Chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride Synonym
- ZPYM 8069 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.10 g/mol | CAS Common Chemistry |
| 188.09799999999998 g/mol | RDKit | |
| 188.098 g/mol | RDKit | |
| 188.092 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].ClCC(O)C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CSPHGSFZFWKVDL-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 190 °C | CAS Common Chemistry |
| Name | (3-Chloro-2-hydroxypropyl)trimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -2.7036999999999978 | RDKit |
| -2.7037 | RDKit | |
| Molar Refractivity | 39.626200000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 187.05306946 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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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 = 188.10 g/mol. Edit any field — others recompute live.
