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Molecule
Hc Yellow 5
CAS: 56932-44-6 · C8H11N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56932-44-6
- Molecular Formula
- C8H11N3O3
- Molecular Mass
- 197.19 g/mol
Identifiers
CAS Registry Number
56932-44-6
SMILES
Nc1cc([N+](=O)[O-])ccc1NCCO
InChI Key
OWMQBFHMJVSJSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2
Names and Synonyms
- Hc Yellow 5 Synonym
- Ethanol, 2-[(2-amino-4-nitrophenyl)amino]- Synonym
- Ethanol, 2-(2-amino-4-nitroanilino)- Synonym
- 2-[(2-Amino-4-nitrophenyl)amino]ethanol Synonym
- HC Yellow No. 5 Synonym
- N1-(2-Hydroxyethyl)-4-nitro-o-phenylenediamine Synonym
- HC Yellow 5 Synonym
- Yellow No. 5 Synonym
- 1-(2′-Hydroxy-ethyl)amino-2-amino-4-nitro-benzene Synonym
- 2-[(2-Amino-4-nitrophenyl)amino]ethan-1-ol Synonym
- 2-(2-Amino-4-nitroanilino)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.19 g/mol | CAS Common Chemistry |
| 197.194 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(NCCO)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OWMQBFHMJVSJSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | HC Yellow 5 | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 101.42 Ų | RDKit |
| 96.58 Ų | chempirical lib | |
| LogP | 0.5811999999999999 | RDKit |
| 0.5812 | RDKit | |
| Molar Refractivity | 53.08430000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 197.080041212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 197.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N3O3.
