Back to Search
Hc Blue 2
CAS: 33229-34-4 | C12H19N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33229-34-4
Molecular Formula:
C12H19N3O5
Molecular Mass:
285.30 g/mol
Names and Synonyms:
Hc Blue 2
Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bis-
Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]di-
2,2′-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis[ethanol]
N1,N4,N4-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
N,N′,N′-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
N1,N4,N4-Tris(2′-hydroxyethyl)-2-nitro-p-phenylenediamine
HC Blue No. 2
HC Blue 2
2,2′-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
Covarine Blue W 6122
Colorex HCB 2
N,N,N′-Tris(2-hydroxyethyl)-3-nitrobenzene-1,4-diamine
2,2′-((4-((2-Hydroxyethyl)amino)-3-nitrophenyl)azanediyl)diethanol
2-[4-[Bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
Identifiers:
SMILES:
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
InChI:
InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
Key Properties
Melting Point
93-98 °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 | 285.30 g/mol | CAS Common Chemistry |
| 285.3 g/mol | RDKit | |
| 285.132470708 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC(=CC=C1NCCO)N(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MIWUTEVJIISHCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-98 °C | CAS Common Chemistry |
| Name | HC Blue 2 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 119.10000000000001 Ų | RDKit |
| LogP | -0.21000000000000008 | RDKit |
| Molar Refractivity | 75.05650000000003 | RDKit |
