Back to Search
Molecule
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
Identifiers
CAS Registry Number
2871-01-4
SMILES
Nc1ccc(NCCO)c([N+](=O)[O-])c1
InChI Key
GZGZVOLBULPDFD-UHFFFAOYSA-N
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
Names and Synonyms
- Hc Red 3 Common Name
- Ethanol, 2-[(4-amino-2-nitrophenyl)amino]- Synonym
- Ethanol, 2-(4-amino-2-nitroanilino)- Synonym
- 2-[(4-Amino-2-nitrophenyl)amino]ethanol Synonym
- N1-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine Synonym
- N-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine Synonym
- N1-(2′-Hydroxyethyl)-2-nitro-p-phenylenediamine Synonym
- HC Red No. 3 Synonym
- 4-(2-Hydroxyethyl)amino-3-nitroaniline Synonym
- HC Red 3 Synonym
- HC Red Number 3 Synonym
- 2-Nitro-4-amino-1-(2-hydroxyethylamino)benzene Synonym
- Red No. 3 Synonym
- 1-[(2-Hydroxyethyl)amino]-2-nitro-4-aminobenzene Synonym
- 2-(4-Amino-2-nitroanilino)ethanol Synonym
- 2-[(4-Amino-2-nitrophenyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.19 g/mol | CAS Common Chemistry |
| 197.19400000000002 g/mol | RDKit | |
| 197.194 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 |
| 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...
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
Convert
Quick conversion
MW = 197.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N3O3.
