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Molecule
Morpholine, Hydrochloride (1:1)
CAS: 10024-89-2 · C4H10ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10024-89-2
- Molecular Formula
- C4H10ClNO
- Molecular Mass
- 123.58 g/mol
Identifiers
CAS Registry Number
10024-89-2
SMILES
C1COCCN1.Cl
InChI Key
JXYZHMPRERWTPM-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
Names and Synonyms
- Morpholine, Hydrochloride (1:1) Systematic Name
- Morpholine, hydrochloride (1:1) Synonym
- Morpholine, hydrochloride Synonym
- Morpholinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.58 g/mol | CAS Common Chemistry |
| 123.583 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 |
| 21.26 Ų | RDKit | |
| LogP | 0.027999999999999914 | RDKit |
| 0.028 | RDKit | |
| Molar Refractivity | 30.93669999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 123.04509162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 123.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClNO.
