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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 Mass:
145.20 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
Key Properties
Boiling Point
97-98 °C @ Press: 13 Torr
CAS Common Chemistry
Density
1.02 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 | 145.20 g/mol | CAS Common Chemistry |
| 145.20199999999997 g/mol | RDKit | |
| 145.11027872 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0203 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 97-98 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(C)CN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YAXQOLYGKLGQKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2-Hydroxypropyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | -0.3006 | RDKit |
| Molar Refractivity | 38.939800000000005 | RDKit |
