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(3-Chloro-2-Hydroxypropyl)Trimethylammonium Chloride
CAS: 3327-22-8 | C6H15Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3327-22-8
Molecular Formula:
C6H15Cl2NO
Molecular Mass:
188.10 g/mol
Names and Synonyms:
(3-Chloro-2-Hydroxypropyl)Trimethylammonium Chloride
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
Ammonium, (3-chloro-2-hydroxypropyl)trimethyl-, chloride
(3-Chloro-2-hydroxypropyl)trimethylammonium chloride
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride
Trimethyl(2-hydroxy-3-chloropropyl)ammonium chloride
(2-Hydroxy-3-chloropropyl)trimethylammonium chloride
NT 21
1-Chloro-3-(trimethylammonio)-2-propanol chloride
(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride
Quat 188
Dextrosil
Dextrosil KA
Verolan KAF
QUAB
Dowquat 188
QUAB 188
Catiomaster C
QUAB 218
COPA 60S
N-(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride
Vircotone ECO
CR 2000
CR 2000 (fixative)
NSC 51216
Reagens CFZ
Catiomaster C 60
Cation Master C
Reagens S-CFZ
1-Chloro-3-trimethylammonium-2-propanol chloride
1-Chloro-2-hydroxypropane-3-trimethylammonium chloride
Reagens S
HAC 65
CTA
EcoFAST CR 2000
CTA 65
3-Chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
ZPYM 8069
Identifiers:
SMILES:
C[N+](C)(C)CC(O)CCl.[Cl-]
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
Key Properties
Melting Point
190 °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 | 188.10 g/mol | CAS Common Chemistry |
| 188.09799999999998 g/mol | RDKit | |
| 187.05306946 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 39.626200000000004 | RDKit |
