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Molecule
Chrysoidine
CAS: 532-82-1 · C12H13ClN4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 532-82-1
- Molecular Formula
- C12H13ClN4
- Molecular Mass
- 248.72 g/mol
Identifiers
CAS Registry Number
532-82-1
SMILES
Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1
InChI Key
MCTQNEBFZMBRSQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H
Names and Synonyms
- Chrysoidine Synonym
- 1,3-Benzenediamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1) Synonym
- C.I. Basic Orange 2, monohydrochloride Synonym
- C.I. Basic Orange 2 Synonym
- 1,3-Benzenediamine, 4-(phenylazo)-, monohydrochloride Synonym
- C.I. 11270 Synonym
- Astra Chrysoidine R Synonym
- Brasilazina Orange Y Synonym
- Calcozine Orange YS Synonym
- Chrysoidine Synonym
- Chrysoidine A Synonym
- Chrysoidine G Synonym
- Chrysoidine J Synonym
- Chrysoidine Y Synonym
- Chrysoidine Y Crystals Synonym
- Chrysoidine C Synonym
- Chrysoidine B Synonym
- Chrysoidine M Synonym
- Chrysoidine GN Synonym
- Chrysoidine GS Synonym
- Chrysoidine HR Synonym
- Chrysoidine orange Synonym
- Chrysoidine PRL Synonym
- Chrysoidine PRR Synonym
- Chrysoidine SL Synonym
- Chrysoidine Y Special Synonym
- Chrysoidine SS Synonym
- Chrysoidine YL Synonym
- Chrysoidine YN Synonym
- Chrysoidin FB Synonym
- 2,4-Diaminoazobenzene hydrochloride Synonym
- Diazocard Chrysoidine G Synonym
- Leather Orange HR Synonym
- Nippon Kagaku Chrysoidine Synonym
- Pure Chrysoidine YBH Synonym
- Sugai Chrysoidine Synonym
- Tertrophene Brown CG Synonym
- Chrysoidin Synonym
- Chrysoidine II Synonym
- Chrysoidine hydrochloride Synonym
- Atlantic Chrysoidine Y Synonym
- Verona Chrysoidine GN Synonym
- Basic Orange 2 Synonym
- Basonyl Orange 200 Synonym
- Chrysodine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.72 g/mol | CAS Common Chemistry |
| 248.717 g/mol | RDKit | |
| 248.714 g/mol | chempirical lib | |
| Boiling Point | 2262 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.N(=NC1=CC=C(N)C=C1N)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MCTQNEBFZMBRSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-118.5 °C | CAS Common Chemistry |
| Name | Chrysoidine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 76.75999999999999 Ų | RDKit |
| 76.76 Ų | RDKit | |
| LogP | 3.688200000000002 | RDKit |
| 3.6882 | RDKit | |
| Molar Refractivity | 73.13280000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 248.08287409599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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40
20
0 ppm
| 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 = 248.72 g/mol. Edit any field — others recompute live.
