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Molecule
2,6-Diamino-3-Phenylazopyridine Hydrochloride
CAS: 136-40-3 · C11H12ClN5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 136-40-3
- Molecular Formula
- C11H12ClN5
- Molecular Mass
- 249.71 g/mol
Identifiers
CAS Registry Number
136-40-3
SMILES
Cl.N=c1ccc(N=Nc2ccccc2)c(N)[nH]1
InChI Key
QQBPIHBUCMDKFG-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H
Names and Synonyms
- 2,6-Diamino-3-Phenylazopyridine Hydrochloride Systematic Name
- 2,6-Pyridinediamine, 3-(2-phenyldiazenyl)-, hydrochloride (1:1) Synonym
- Pyridine, 2,6-diamino-3-(phenylazo)-, monohydrochloride Synonym
- 2,6-Pyridinediamine, 3-(phenylazo)-, monohydrochloride Synonym
- NC 150 Synonym
- W 1655 Synonym
- Azodyne Synonym
- Bisteril Synonym
- Diridone Synonym
- Phenazodine Synonym
- Phenylazo tablets Synonym
- Pirid Synonym
- Pyridacil Synonym
- Pyridium Synonym
- Pyripyridium Synonym
- Uridinal Synonym
- Urodine Synonym
- Mallophene Synonym
- Phenazopyridine hydrochloride Synonym
- 2,6-Diamino-3-phenylazopyridine hydrochloride Synonym
- β-Phenylazo-α,α′-diaminopyridine hydrochloride Synonym
- Sedural Synonym
- 2,6-Diamino-3-phenylazopyridine monohydrochloride Synonym
- Phenazopyridinium chloride Synonym
- Pyridiate Synonym
- Urisept Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.71 g/mol | CAS Common Chemistry |
| 249.705 g/mol | RDKit | |
| 249.702 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N(=NC1=CC=C(N=C1N)N)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H | CAS Common Chemistry |
| InChI Key | InChIKey=QQBPIHBUCMDKFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,6-Diamino-3-phenylazopyridine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 90.38 Ų | RDKit |
| LogP | 2.91357 | RDKit |
| 2.9136 | RDKit | |
| Molar Refractivity | 68.92580000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.07812306399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 249.71 g/mol. Edit any field — others recompute live.
