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Hc Red 3
CAS: 2871-01-4 | C8H11N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2871-01-4
Molecular Formula:
C8H11N3O3
Molecular Mass:
197.19 g/mol
Names and Synonyms:
Hc Red 3
Ethanol, 2-[(4-amino-2-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-nitroanilino)-
2-[(4-Amino-2-nitrophenyl)amino]ethanol
N1-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
N-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
N1-(2′-Hydroxyethyl)-2-nitro-p-phenylenediamine
HC Red No. 3
4-(2-Hydroxyethyl)amino-3-nitroaniline
HC Red 3
HC Red Number 3
2-Nitro-4-amino-1-(2-hydroxyethylamino)benzene
Red No. 3
1-[(2-Hydroxyethyl)amino]-2-nitro-4-aminobenzene
2-(4-Amino-2-nitroanilino)ethanol
2-[(4-Amino-2-nitrophenyl)amino]ethan-1-ol
Identifiers:
SMILES:
Nc1ccc(NCCO)c([N+](=O)[O-])c1
InChI:
InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2
Key Properties
Melting Point
127 °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 | 197.19 g/mol | CAS Common Chemistry |
| 197.19400000000002 g/mol | RDKit | |
| 197.080041212 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(N)=CC=C1NCCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GZGZVOLBULPDFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127 °C | CAS Common Chemistry |
| Name | HC Red 3 | 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 |
| LogP | 0.5811999999999999 | RDKit |
| Molar Refractivity | 53.08430000000001 | RDKit |
