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Molecule
Hc Yellow 2
CAS: 4926-55-0 · C8H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4926-55-0
- Molecular Formula
- C8H10N2O3
- Molecular Mass
- 182.18 g/mol
Identifiers
CAS Registry Number
4926-55-0
SMILES
O=[N+]([O-])c1ccccc1NCCO
InChI Key
LFOUYKNCQNVIGI-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2
Names and Synonyms
- Hc Yellow 2 Common Name
- Ethanol, 2-[(2-nitrophenyl)amino]- Synonym
- Ethanol, 2-(o-nitroanilino)- Synonym
- 2-[(2-Nitrophenyl)amino]ethanol Synonym
- N-(2-Hydroxyethyl)-o-nitroaniline Synonym
- N-(2′-Hydroxyethyl)-2-nitroaniline Synonym
- HC Yellow No. 2 Synonym
- N-(2-Hydroxyethyl)-2-nitroaniline Synonym
- HC Yellow 2 Synonym
- o-Nitro-N-(2-hydroxyethyl)aniline Synonym
- NSC 33878 Synonym
- NSC 68401 Synonym
- Covarine Yellow W 1122 Synonym
- Colorex HCY 2 Synonym
- 1-(2′-Hydroxyethyl)amino-2-nitrobenzene Synonym
- 2-(2-Nitroanilino)ethanol Synonym
- 2-[(2-Nitrophenyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.18 g/mol | CAS Common Chemistry |
| 182.17899999999995 g/mol | RDKit | |
| 182.179 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C=1C=CC=CC1NCCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LFOUYKNCQNVIGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76 °C | CAS Common Chemistry |
| Name | HC Yellow 2 | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 75.4 Ų | RDKit |
| 70.56 Ų | chempirical lib | |
| LogP | 0.9989999999999997 | RDKit |
| 0.999 | RDKit | |
| Molar Refractivity | 48.67190000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 182.06914218 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 182.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O3.
