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Morpholine
CAS: 110-91-8 | C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-91-8
Molecular Formula:
C4H9NO
Molecular Mass:
87.12 g/mol
Names and Synonyms:
Morpholine
Morpholine
Diethylene imidoxide
Diethylene oximide
Diethylenimide oxide
p-Isoxazine, tetrahydro-
1-Oxa-4-azacyclohexane
2H-1,4-Oxazine, tetrahydro-
4H-1,4-Oxazine, tetrahydro-
Tetrahydro-p-oxazine
Tetrahydro-1,4-oxazine
Tetrahydro-2H-1,4-oxazine
BASF 238
Drewamine
NSC 9376
Identifiers:
SMILES:
C1COCCN1
InChI:
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
Key Properties
Boiling Point
128.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-4.9 °C
CAS Common Chemistry
Density
1.00 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 | 87.12 g/mol | CAS Common Chemistry |
| 87.122 g/mol | RDKit | |
| 87.068413908 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.0007 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Morpholine | CAS Common Chemistry |
| Boiling Point | 128.9 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YNAVUWVOSKDBBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4.9 °C | CAS Common Chemistry |
| Name | Morpholine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | -0.3938000000000001 | RDKit |
| Molar Refractivity | 23.688699999999994 | RDKit |
