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Molecule
3-Morpholino-1-Propanol
CAS: 4441-30-9 · C7H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4441-30-9
- Molecular Formula
- C7H15NO2
- Molecular Mass
- 145.20 g/mol
Identifiers
CAS Registry Number
4441-30-9
SMILES
OCCCN1CCOCC1
InChI Key
VZKSLWJLGAGPIU-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2
Names and Synonyms
- 3-Morpholino-1-Propanol Systematic Name
- 4-Morpholinepropanol Synonym
- 3-Morpholinopropanol Synonym
- 3-Morpholino-1-propanol Synonym
- 3-(4-Morpholinyl)-1-propanol Synonym
- 4-(3-Hydroxypropyl)morpholine Synonym
- N-(3-Hydroxypropyl)morpholine Synonym
- 3-(Morpholin-4-yl)propanol Synonym
- 3-(4-Morpholinyl)propanol Synonym
- 3-(4-Morpholinyl)propan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.20 g/mol | CAS Common Chemistry |
| 145.20199999999997 g/mol | RDKit | |
| 145.202 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0452 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VZKSLWJLGAGPIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-111.5 °C | CAS Common Chemistry |
| Name | 3-Morpholino-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.7 Ų | RDKit |
| 32.47 Ų | chempirical lib | |
| LogP | -0.29899999999999993 | RDKit |
| -0.299 | RDKit | |
| Molar Refractivity | 38.961800000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.11027872 g/mol | RDKit |
| Boiling Point | 134-136 °C @ 24 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 145.20 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO2.
