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Disperse Red 1
CAS: 2872-52-8 | C16H18N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2872-52-8
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.345 g/mol
Names and Synonyms:
Disperse Red 1
D 3284
Fluka Disperse Red
4-[N-(2-Hydroxyethyl)-N-ethylamino]-4′-nitroazobenzene
N-Ethyl-N-(2-hydroxyethyl)-4-(4-nitrophenylazo)aniline
NSC 57019
Intrasperse Scarlet BRN
4-[4-(Nitrophenyl)azo]-N-ethyl-N-(2-hydroxyethyl)aniline
1-[N-Ethyl-N-(2-hydroxyethyl)amino]-4-(4-nitrophenylazo)benzene
4-[(2-Hydroxyethyl)ethylamino]-4′-nitroazobenzene
Serisol Fast Scarlet BD 200
Diacelliton Fast Scarlet B
4-[Ethyl(2-hydroxyethyl)amino]-4′-nitroazobenzene
WO 4
C.I. Solvent Red 14
Dispersol Scarlet B
Dispersive ruby Zh
4-[N-Ethyl-N-(2-hydroxyethyl)amino]-4′-nitroazobenzene
N-Ethyl-N-(2-hydroxyethyl)-4-[(p-nitrophenyl)azo]aniline
Disperse Red Zh
4-Nitro-4′-[ethyl(2-hydroxyethyl)amino]azobenzene
Disperse Scarlet Zh
Disperse Red 1
Tertranese Scarlet N-B
Supracet Fast Scarlet B
Silotras Scarlet TSR
Setacyl Scarlet RNA
Setacyl Scarlet 2BD
Setacyl Scarlet B
Serisol Fast Scarlet BD
Serinyl Hoisery Scarlet BD
Scarlet Reliton BA
Safaritone Scarlet B
Reliton Scarlet BA
Nyloquinone Red N
4-Nitro-4′-[N-ethyl-N-(β-hydroxyethyl)amino]azobenzene
Neosetile Scarlet B
Nacelan Scarlet CSB
Monocel Scarlet B
Miketon Fast Scarlet B
Microsetile Scarlet B
Kayalon Fast Scarlet B
Interchem Hisperse Scarlet BH
Interchem Acetate Scarlet B
Fenacet Scarlet B
N-Ethyl-N-[p-(p-nitrophenylazo)phenyl]ethanolamine
Eniacyl Scarlet B
Eastone Scarlet BG
Durgacet Scarlet B
Dispersol Fast Scarlet B
Disperse Scarlet B
Diacelliton Scarlet B
Cilla Scarlet B
Cibacet Scarlet BS
Cibacet Scarlet 2B
Cibacet Scarlet BRN
Celutate Scarlet BH
Celliton Scarlet BA-CF
Celliton Discharge Scarlet B
Calcosyn Brilliant Scarlet BN
Amacel Scarlet GB
Acetoquinone Light Scarlet BLZ
Acetate Fast Scarlet B
Acetamine Scarlet B
C.I. 11110
2-[Ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethanol
Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-
C.I. Disperse Red 1
Celliton Scarlet B
Ethanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
Identifiers:
SMILES:
CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChI:
InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 314.345 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 314.13789043599996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 91.33 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.828800000000003 | RDKit |
| molecular_mass | 314.34 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FOQABOMYTOFLPZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 161 °C None | Legacy Database |
| cas-name | Disperse Red 1 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.68720000000003 | RDKit |
