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Morpholine, Hydrochloride (1:1)
CAS: 10024-89-2 | C4H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10024-89-2
Molecular Formula:
C4H10ClNO
Molecular Weight:
123.583 g/mol
Names and Synonyms:
Morpholine, Hydrochloride (1:1)
Morpholine, hydrochloride
Morpholine, hydrochloride (1:1)
Morpholinium chloride
Identifiers:
SMILES:
C1COCCN1.Cl
InChI:
InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 123.58 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O1CCNCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=JXYZHMPRERWTPM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 177 °C None | Legacy Database |
| cas-name | Morpholine, hydrochloride (1:1) None | Legacy Database |
| LogP | 0.027999999999999914 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.583 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.04509162 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.93669999999999 | RDKit |
