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Hc Red 7
CAS: 24905-87-1 | C8H11N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24905-87-1
Molecular Formula:
C8H11N3O3
Molecular Mass:
197.19 g/mol
Names and Synonyms:
Hc Red 7
Ethanol, 2-[(4-amino-3-nitrophenyl)amino]-
Ethanol, 2-(4-amino-3-nitroanilino)-
2-[(4-Amino-3-nitrophenyl)amino]ethanol
2-Amino-5-(N-β-hydroxyethylamino)nitrobenzene
2-Nitro-4-(β-hydroxyethylamino)aniline
2-Amino-5-(2-hydroxyethylamino)nitrobenzene
HC Red No. 7
HC Red 7
2-(4-Amino-3-nitroanilino)ethanol
2-[(4-Amino-3-nitrophenyl)amino]ethan-1-ol
Identifiers:
SMILES:
Nc1ccc(NCCO)cc1[N+](=O)[O-]
InChI:
InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
Key Properties
Melting Point
98 °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(=CC=C1N)NCCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DAGCJJZWDAVKRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98 °C | CAS Common Chemistry |
| Name | HC Red 7 | 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 | 53.084300000000006 | RDKit |
