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Molecule
Ethanone, 2-Amino-1-(4-Morpholinyl)-, Hydrochloride (1:1)
CAS: 24152-96-3 · C6H13ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24152-96-3
- Molecular Formula
- C6H13ClN2O2
- Molecular Mass
- 180.64 g/mol
Identifiers
CAS Registry Number
24152-96-3
SMILES
Cl.NCC(=O)N1CCOCC1
InChI Key
XNMVLMPXYUXCBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O2.ClH/c7-5-6(9)8-1-3-10-4-2-8;/h1-5,7H2;1H
Names and Synonyms
- Ethanone, 2-Amino-1-(4-Morpholinyl)-, Hydrochloride (1:1) Synonym
- Ethanone, 2-amino-1-(4-morpholinyl)-, hydrochloride (1:1) Synonym
- Morpholine, 4-glycyl-, monohydrochloride Synonym
- Morpholine, 4-(aminoacetyl)-, monohydrochloride Synonym
- Morpholine, 4-glycyl-, hydrochloride Synonym
- 2-Amino-1-(morpholin-4-yl)ethanone hydrochloride Synonym
- 2-Amino-1-morpholinoethanone hydrochloride Synonym
- 2-Amino-1-(morpholin-4-yl)ethan-1-one hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.64 g/mol | CAS Common Chemistry |
| 180.63499999999996 g/mol | RDKit | |
| 180.635 g/mol | RDKit | |
| 180.632 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(N1CCOCC1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O2.ClH/c7-5-6(9)8-1-3-10-4-2-8;/h1-5,7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XNMVLMPXYUXCBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C | CAS Common Chemistry |
| Name | Ethanone, 2-amino-1-(4-morpholinyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.56 Ų | RDKit |
| 55.33 Ų | chempirical lib | |
| LogP | -0.7743000000000002 | RDKit |
| -0.7743 | RDKit | |
| Molar Refractivity | 43.70140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 180.066555336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 180.64 g/mol. Edit any field — others recompute live.
