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4-Morpholineethanol
CAS: 622-40-2 | C6H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
622-40-2
Molecular Formula:
C6H13NO2
Molecular Mass:
131.18 g/mol
Names and Synonyms:
4-Morpholineethanol
4-Morpholineethanol
N-(2-Hydroxyethyl)morpholine
N-(β-Hydroxyethyl)morpholine
2-Morpholinoethanol
β-Morpholinoethanol
4-(2-Hydroxyethyl)morpholine
2-(4-Morpholinyl)ethanol
2-(4-Morpholino)ethyl alcohol
2-(4-Morpholinyl)-1-ethanol
NSC 1946
1-(2-Hydroxyethyl)morpholine
2-Morpholinoethan-1-ol
Identifiers:
SMILES:
OCCN1CCOCC1
InChI:
InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
Key Properties
Boiling Point
227 °C
CAS Common Chemistry
Melting Point
-1.6 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 131.18 g/mol | CAS Common Chemistry |
| 131.17499999999998 g/mol | RDKit | |
| 131.094628656 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0733 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 227 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KKFDCBRMNNSAAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1.6 °C | CAS Common Chemistry |
| Name | 4-Morpholineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| LogP | -0.6891000000000005 | RDKit |
| Molar Refractivity | 34.34479999999999 | RDKit |
