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Molecule
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 Mass
- 314.34 g/mol
Identifiers
CAS Registry Number
2872-52-8
SMILES
CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChI Key
FOQABOMYTOFLPZ-UHFFFAOYSA-N
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
Names and Synonyms
- Disperse Red 1 Common Name
- Ethanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]- Synonym
- Celliton Scarlet B Synonym
- C.I. Disperse Red 1 Synonym
- Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]- Synonym
- 2-[Ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethanol Synonym
- C.I. 11110 Synonym
- Acetamine Scarlet B Synonym
- Acetate Fast Scarlet B Synonym
- Acetoquinone Light Scarlet BLZ Synonym
- Amacel Scarlet GB Synonym
- Calcosyn Brilliant Scarlet BN Synonym
- Celliton Discharge Scarlet B Synonym
- Celliton Scarlet BA-CF Synonym
- Celutate Scarlet BH Synonym
- Cibacet Scarlet BRN Synonym
- Cibacet Scarlet 2B Synonym
- Cibacet Scarlet BS Synonym
- Cilla Scarlet B Synonym
- Diacelliton Scarlet B Synonym
- Disperse Scarlet B Synonym
- Dispersol Fast Scarlet B Synonym
- Durgacet Scarlet B Synonym
- Eastone Scarlet BG Synonym
- Eniacyl Scarlet B Synonym
- N-Ethyl-N-[p-(p-nitrophenylazo)phenyl]ethanolamine Synonym
- Fenacet Scarlet B Synonym
- Interchem Acetate Scarlet B Synonym
- Interchem Hisperse Scarlet BH Synonym
- Kayalon Fast Scarlet B Synonym
- Microsetile Scarlet B Synonym
- Miketon Fast Scarlet B Synonym
- Monocel Scarlet B Synonym
- Nacelan Scarlet CSB Synonym
- Neosetile Scarlet B Synonym
- 4-Nitro-4′-[N-ethyl-N-(β-hydroxyethyl)amino]azobenzene Synonym
- Nyloquinone Red N Synonym
- Reliton Scarlet BA Synonym
- Safaritone Scarlet B Synonym
- Scarlet Reliton BA Synonym
- Serinyl Hoisery Scarlet BD Synonym
- Serisol Fast Scarlet BD Synonym
- Setacyl Scarlet B Synonym
- Setacyl Scarlet 2BD Synonym
- Setacyl Scarlet RNA Synonym
- Silotras Scarlet TSR Synonym
- Supracet Fast Scarlet B Synonym
- Tertranese Scarlet N-B Synonym
- Disperse Red 1 Synonym
- Disperse Scarlet Zh Synonym
- 4-Nitro-4′-[ethyl(2-hydroxyethyl)amino]azobenzene Synonym
- Disperse Red Zh Synonym
- N-Ethyl-N-(2-hydroxyethyl)-4-[(p-nitrophenyl)azo]aniline Synonym
- 4-[N-Ethyl-N-(2-hydroxyethyl)amino]-4′-nitroazobenzene Synonym
- Dispersive ruby Zh Synonym
- Dispersol Scarlet B Synonym
- C.I. Solvent Red 14 Synonym
- WO 4 Synonym
- 4-[Ethyl(2-hydroxyethyl)amino]-4′-nitroazobenzene Synonym
- Diacelliton Fast Scarlet B Synonym
- Serisol Fast Scarlet BD 200 Synonym
- 4-[(2-Hydroxyethyl)ethylamino]-4′-nitroazobenzene Synonym
- 1-[N-Ethyl-N-(2-hydroxyethyl)amino]-4-(4-nitrophenylazo)benzene Synonym
- 4-[4-(Nitrophenyl)azo]-N-ethyl-N-(2-hydroxyethyl)aniline Synonym
- Intrasperse Scarlet BRN Synonym
- NSC 57019 Synonym
- N-Ethyl-N-(2-hydroxyethyl)-4-(4-nitrophenylazo)aniline Synonym
- 4-[N-(2-Hydroxyethyl)-N-ethylamino]-4′-nitroazobenzene Synonym
- Fluka Disperse Red Synonym
- D 3284 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.34 g/mol | CAS Common Chemistry |
| 314.345 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C=C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FOQABOMYTOFLPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161 °C | CAS Common Chemistry |
| Name | Disperse Red 1 | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 91.33 Ų | RDKit |
| 86.26 Ų | chempirical lib | |
| LogP | 3.828800000000003 | RDKit |
| 3.8288 | RDKit | |
| Molar Refractivity | 88.68720000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 314.13789043599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 314.34 g/mol. Edit any field — others recompute live.
