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6-Morpholinopyridin-3-Amine
CAS: 52023-68-4 | C9H13N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52023-68-4
Molecular Formula:
C9H13N3O
Molecular Mass:
179.22 g/mol
Names and Synonyms:
6-Morpholinopyridin-3-Amine
3-Pyridinamine, 6-(4-morpholinyl)-
6-(4-Morpholinyl)-3-pyridinamine
3-Amino-6-morpholinopyridine
2-Morpholino-5-aminopyridine
6-Morpholinopyridin-3-amine
[6-(Morpholin-4-yl)pyridin-3-yl]amine
3-Amino-6-(morpholino-4-yl)pyridine
3-Amino-6-(morpholin-4-yl)pyridine
6-Morpholinopyridine-3-amine
4-(5-Amino-2-pyridinyl)morpholine
2-(Morpholino)pyridin-5-amine
Identifiers:
SMILES:
Nc1ccc(N2CCOCC2)nc1
InChI:
InChI=1S/C9H13N3O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2
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 | 179.22 g/mol | CAS Common Chemistry |
| 179.223 g/mol | RDKit | |
| 179.105862036 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(N)C=CC1N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VVTSPTCBHTWXMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Morpholinopyridin-3-amine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 51.379999999999995 Ų | RDKit |
| LogP | 0.5003999999999997 | RDKit |
| Molar Refractivity | 51.68140000000002 | RDKit |
