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Molecule
2-Methylamino-3-Amino-6-Methoxypyridine Dihydrochloride
CAS: 83732-72-3 · C7H13Cl2N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83732-72-3
- Molecular Formula
- C7H13Cl2N3O
- Molecular Mass
- 226.11 g/mol
Identifiers
CAS Registry Number
83732-72-3
SMILES
CNc1nc(OC)ccc1N.Cl.Cl
InChI Key
GYLCRBBRGGGHBS-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Methylamino-3-Amino-6-Methoxypyridine Dihydrochloride Synonym
- 2,3-Pyridinediamine, 6-methoxy-N2-methyl-, hydrochloride (1:2) Synonym
- 2,3-Pyridinediamine, 6-methoxy-N2-methyl-, dihydrochloride Synonym
- 2-Methylamino-3-amino-6-methoxypyridine dihydrochloride Synonym
- 3-Amino-2-methylamino-6-methoxypyridine dihydrochloride Synonym
- 3-Amino-6-methoxy-2-(methylamino)pyridine dihydrochloride Synonym
- HC Blue No. 7 Synonym
- HC Blue 7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.11 g/mol | CAS Common Chemistry |
| 226.107 g/mol | RDKit | |
| 226.101 g/mol | chempirical lib | |
| 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 |
| 59.64 Ų | chempirical lib | |
| LogP | 1.5577 | RDKit |
| Molar Refractivity | 59.244100000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 225.043567396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 226.11 g/mol. Edit any field — others recompute live.
