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4-Morpholinamine
CAS: 4319-49-7 | C4H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4319-49-7
Molecular Formula:
C4H10N2O
Molecular Weight:
102.137 g/mol
Names and Synonyms:
4-Morpholinamine
4-Morpholinamine
Morpholine, 4-amino-
N-Aminomorpholine
4-Aminomorpholine
4-Morpholineamine
NSC 6825
(Morpholin-4-yl)amine
Identifiers:
SMILES:
NN1CCOCC1
InChI:
InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2
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 | 102.14 g/mol | Legacy Database |
| cas-boiling-point | 166 °C None | Legacy Database |
| cas-canonical-smile | O1CCN(N)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MKQLBNJQQZRQJU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Morpholinamine None | Legacy Database |
| LogP | -0.8077000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 102.137 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.489999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.579399999999993 | RDKit |
