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3-Morpholino-1-Propanol
CAS: 4441-30-9 | C7H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4441-30-9
Molecular Formula:
C7H15NO2
Molecular Weight:
145.20199999999997 g/mol
Names and Synonyms:
3-Morpholino-1-Propanol
3-(4-Morpholinyl)propan-1-ol
3-(4-Morpholinyl)propanol
3-(Morpholin-4-yl)propanol
N-(3-Hydroxypropyl)morpholine
4-(3-Hydroxypropyl)morpholine
3-(4-Morpholinyl)-1-propanol
3-Morpholino-1-propanol
3-Morpholinopropanol
4-Morpholinepropanol
Identifiers:
SMILES:
OCCCN1CCOCC1
InChI:
InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 145.20 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| cas-boiling-point | 134-136 °C @ Press: 24 Torr None | Legacy Database |
| cas-canonical-smile | OCCCN1CCOCC1 None | Legacy Database |
| cas-density | 1.0452 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VZKSLWJLGAGPIU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 110-111.5 °C None | Legacy Database |
| cas-name | 3-Morpholino-1-propanol None | Legacy Database |
| LogP | -0.29899999999999993 | RDKit |
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 | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.7 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.961800000000004 | RDKit |
