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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
Names and Synonyms:
Hc Yellow 2
Ethanol, 2-[(2-nitrophenyl)amino]-
Ethanol, 2-(o-nitroanilino)-
2-[(2-Nitrophenyl)amino]ethanol
N-(2-Hydroxyethyl)-o-nitroaniline
N-(2′-Hydroxyethyl)-2-nitroaniline
HC Yellow No. 2
N-(2-Hydroxyethyl)-2-nitroaniline
HC Yellow 2
o-Nitro-N-(2-hydroxyethyl)aniline
NSC 33878
NSC 68401
Covarine Yellow W 1122
Colorex HCY 2
1-(2′-Hydroxyethyl)amino-2-nitrobenzene
2-(2-Nitroanilino)ethanol
2-[(2-Nitrophenyl)amino]ethan-1-ol
Identifiers:
SMILES:
O=[N+]([O-])c1ccccc1NCCO
InChI:
InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2
Key Properties
Melting Point
76 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.18 g/mol | CAS Common Chemistry |
| 182.17899999999995 g/mol | RDKit | |
| 182.06914218 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 |
| LogP | 0.9989999999999997 | RDKit |
| Molar Refractivity | 48.67190000000002 | RDKit |
