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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 Mass:
123.58 g/mol
Names and Synonyms:
Morpholine, Hydrochloride (1:1)
Morpholine, hydrochloride (1:1)
Morpholine, hydrochloride
Morpholinium chloride
Identifiers:
SMILES:
C1COCCN1.Cl
InChI:
InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
Key Properties
Melting Point
177 °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 | 123.58 g/mol | CAS Common Chemistry |
| 123.583 g/mol | RDKit | |
| 123.04509162 g/mol | RDKit | |
| Canonical SMILES | Cl.O1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JXYZHMPRERWTPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177 °C | CAS Common Chemistry |
| Name | Morpholine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 0.027999999999999914 | RDKit |
| Molar Refractivity | 30.93669999999999 | RDKit |
