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N-(2-Hydroxypropyl)Morpholine
CAS: 2109-66-2 | C7H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2109-66-2
Molecular Formula:
C7H15NO2
Molecular Weight:
145.20199999999997 g/mol
Names and Synonyms:
N-(2-Hydroxypropyl)Morpholine
4-Morpholineethanol, α-methyl-
α-Methyl-4-morpholineethanol
N-(β-Hydroxypropyl)morpholine
N-(2-Hydroxypropyl)morpholine
1-Morpholino-2-propanol
4-(2-Hydroxypropyl)morpholine
(±)-1-Morpholino-2-propanol
NSC 61987
1-(Morpholin-4-yl)propan-2-ol
Identifiers:
SMILES:
CC(O)CN1CCOCC1
InChI:
InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.20199999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.11027872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.7 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3006 | RDKit |
| molecular_mass | 145.20 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database |
| cas-boiling-point | 97-98 °C @ Press: 13 Torr None | Legacy Database |
| cas-canonical-smile | OC(C)CN1CCOCC1 None | Legacy Database |
| cas-density | 1.0203 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YAXQOLYGKLGQKA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-(2-Hydroxypropyl)morpholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.939800000000005 | RDKit |
