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4-(2-Chloroethyl)Morpholine Hydrochloride
CAS: 3647-69-6 | C6H13Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3647-69-6
Molecular Formula:
C6H13Cl2NO
Molecular Mass:
186.08 g/mol
Names and Synonyms:
4-(2-Chloroethyl)Morpholine Hydrochloride
Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)
Morpholine, 4-(2-chloroethyl)-, hydrochloride
N-(β-Chloroethyl)morpholine hydrochloride
2-Morpholinoethyl chloride hydrochloride
N-(2-Chloroethyl)morpholine hydrochloride
2-(4-Morpholinyl)ethyl chloride hydrochloride
4-(2-Chloroethyl)morpholine hydrochloride
β-Morpholinoethyl chloride hydrochloride
1-Chloro-2-morpholinoethane hydrochloride
Morpholinoethyl chloride hydrochloride
4-(2-Chloroethyl)morpholinium chloride
4-(2-Chloroethyl)morpholine monohydrochloride
1-(Morpholin-4-yl)-2-chloroethane hydrochloride
1-Chloro-2-(morpholin-4-yl)ethane monohydrochloride
Identifiers:
SMILES:
Cl.ClCCN1CCOCC1
InChI:
InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
Key Properties
Melting Point
182-182.5 °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 | 186.08 g/mol | CAS Common Chemistry |
| 186.08199999999997 g/mol | RDKit | |
| 185.037419396 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NBJHDLKSWUDGJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182-182.5 °C | CAS Common Chemistry |
| Name | 4-(2-Chloroethyl)morpholine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 0.9792000000000001 | RDKit |
| Molar Refractivity | 45.227000000000025 | RDKit |
