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2-Methylamino-3-Amino-6-Methoxypyridine Dihydrochloride
CAS: 83732-72-3 | C7H13Cl2N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83732-72-3
Molecular Formula:
C7H13Cl2N3O
Molecular Mass:
226.11 g/mol
Names and Synonyms:
2-Methylamino-3-Amino-6-Methoxypyridine Dihydrochloride
2,3-Pyridinediamine, 6-methoxy-N2-methyl-, hydrochloride (1:2)
2,3-Pyridinediamine, 6-methoxy-N2-methyl-, dihydrochloride
2-Methylamino-3-amino-6-methoxypyridine dihydrochloride
3-Amino-2-methylamino-6-methoxypyridine dihydrochloride
3-Amino-6-methoxy-2-(methylamino)pyridine dihydrochloride
HC Blue No. 7
HC Blue 7
Identifiers:
SMILES:
CNc1nc(OC)ccc1N.Cl.Cl
InChI:
InChI=1S/C7H11N3O.2ClH/c1-9-7-5(8)3-4-6(10-7)11-2;;/h3-4H,8H2,1-2H3,(H,9,10);2*1H
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 | 226.11 g/mol | CAS Common Chemistry |
| 226.107 g/mol | RDKit | |
| 225.043567396 g/mol | RDKit | |
| Canonical SMILES | Cl.N=1C(OC)=CC=C(N)C1NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H11N3O.2ClH/c1-9-7-5(8)3-4-6(10-7)11-2;;/h3-4H,8H2,1-2H3,(H,9,10);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=GYLCRBBRGGGHBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methylamino-3-amino-6-methoxypyridine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.5577 | RDKit |
| Molar Refractivity | 59.244100000000024 | RDKit |
