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Molecule
4-Morpholinamine
CAS: 4319-49-7 · C4H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4319-49-7
- Molecular Formula
- C4H10N2O
- Molecular Mass
- 102.14 g/mol
Identifiers
CAS Registry Number
4319-49-7
SMILES
NN1CCOCC1
InChI Key
MKQLBNJQQZRQJU-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2
Names and Synonyms
- 4-Morpholinamine Synonym
- 4-Morpholinamine Synonym
- Morpholine, 4-amino- Synonym
- N-Aminomorpholine Synonym
- 4-Aminomorpholine Synonym
- 4-Morpholineamine Synonym
- NSC 6825 Synonym
- (Morpholin-4-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O1CCN(N)CC1 | CAS Common Chemistry |
| Molecular Mass | 102.14 g/mol | CAS Common Chemistry |
| 102.137 g/mol | RDKit | |
| Boiling Point | 166 °C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MKQLBNJQQZRQJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Morpholinamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.489999999999995 Ų | RDKit |
| 38.49 Ų | RDKit | |
| 38.26 Ų | chempirical lib | |
| LogP | -0.8077000000000001 | RDKit |
| -0.8077 | RDKit | |
| Molar Refractivity | 26.579399999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 102.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10N2O.
