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3-Amino-2-Methylamino-6-Methoxypyridine
CAS: 90817-34-8 | C7H11N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90817-34-8
Molecular Formula:
C7H11N3O
Molecular Mass:
153.19 g/mol
Names and Synonyms:
3-Amino-2-Methylamino-6-Methoxypyridine
2,3-Pyridinediamine, 6-methoxy-N2-methyl-
6-Methoxy-N2-methyl-2,3-pyridinediamine
3-Amino-2-methylamino-6-methoxypyridine
3-Amino-6-methoxy-2-(methylamino)pyridine
2-Methylamino-3-amino-6-methoxypyridine
2,3-Pyridinediamine 6-methoxy-N2-methyl-
Identifiers:
SMILES:
CNc1nc(OC)ccc1N
InChI:
InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10)
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 | 153.19 g/mol | CAS Common Chemistry |
| 153.18499999999997 g/mol | RDKit | |
| 153.090211972 g/mol | RDKit | |
| Canonical SMILES | N=1C(OC)=CC=C(N)C1NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=ATCBPVDYYNJHSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Amino-2-methylamino-6-methoxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 60.17 Ų | RDKit |
| LogP | 0.7141 | RDKit |
| Molar Refractivity | 44.748100000000015 | RDKit |
