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2-Morpholinemethanol, Hydrochloride (1:1)
CAS: 144053-98-5 | C5H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144053-98-5
Molecular Formula:
C5H12ClNO2
Molecular Mass:
153.61 g/mol
Names and Synonyms:
2-Morpholinemethanol, Hydrochloride (1:1)
2-Morpholinemethanol, hydrochloride (1:1)
2-Morpholinemethanol, hydrochloride
2-(Hydroxymethyl)morpholine hydrochloride
Morpholin-2-ylmethanol hydrochloride
Identifiers:
SMILES:
Cl.OCC1CNCCO1
InChI:
InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.61 g/mol | CAS Common Chemistry |
| 153.609 g/mol | RDKit | |
| 153.055656304 g/mol | RDKit | |
| Canonical SMILES | Cl.OCC1OCCNC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NBGXGDBTUJNTKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Morpholinemethanol, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.489999999999995 Ų | RDKit |
| LogP | -0.6111000000000002 | RDKit |
| Molar Refractivity | 36.9435 | RDKit |
