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Molecule
N-(2-Hydroxypropyl)Morpholine
CAS: 2109-66-2 · C7H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2109-66-2
- Molecular Formula
- C7H15NO2
- Molecular Mass
- 145.20 g/mol
Identifiers
CAS Registry Number
2109-66-2
SMILES
CC(O)CN1CCOCC1
InChI Key
YAXQOLYGKLGQKA-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3
Names and Synonyms
- N-(2-Hydroxypropyl)Morpholine Synonym
- 4-Morpholineethanol, α-methyl- Synonym
- α-Methyl-4-morpholineethanol Synonym
- N-(β-Hydroxypropyl)morpholine Synonym
- N-(2-Hydroxypropyl)morpholine Synonym
- 1-Morpholino-2-propanol Synonym
- 4-(2-Hydroxypropyl)morpholine Synonym
- (±)-1-Morpholino-2-propanol Synonym
- NSC 61987 Synonym
- 1-(Morpholin-4-yl)propan-2-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 | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0203 g/cm3 @ 20 °C | 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 |
| 32.47 Ų | chempirical lib | |
| LogP | -0.3006 | RDKit |
| Molar Refractivity | 38.939800000000005 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 | 97-98 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 145.20 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO2.
