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Molecule
Disperse Orange 25
CAS: 31482-56-1 · C17H17N5O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31482-56-1
- Molecular Formula
- C17H17N5O2
- Molecular Mass
- 323.36 g/mol
Identifiers
CAS Registry Number
31482-56-1
SMILES
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChI Key
ZSPPPAFDNHYXNW-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3
Names and Synonyms
- Disperse Orange 25 Common Name
- Propanenitrile, 3-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]- Synonym
- Propionitrile, 3-[N-ethyl-p-[(p-nitrophenyl)azo]anilino]- Synonym
- Propanenitrile, 3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]- Synonym
- 3-[Ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile Synonym
- 4-[N-(2-Cyanoethyl)-N-ethylamino]-4′-nitroazobenzene Synonym
- C.I. Disperse Orange 25 Synonym
- Artisil Brilliant Orange RL Synonym
- Eastman Polyester Brilliant Orange 2RL Synonym
- Serilene Orange 2RL Synonym
- Tersetile Orange RCL Synonym
- Latyl Orange NST Synonym
- Foron Brilliant Orange E-RL Synonym
- Resiren Orange TR Synonym
- Disperse Orange 25 Synonym
- Transetile Orange P-RCL Synonym
- Disperse Polyester Orange Synonym
- Fantagen Orange 2RL Synonym
- Disperse Brilliant Orange RL Synonym
- Dispersol Orange B 2R Synonym
- C.I. Solvent Orange 105 Synonym
- Solvent Orange 105 Synonym
- Synten Orange P-RL Synonym
- Resolin Orange F 3R200 Synonym
- Dispersol Orange B 2R200 Synonym
- Serilene Orange 2RL200 Synonym
- Foron Brilliant Orange E-RLI Synonym
- Serene Disperse Orange 25 Synonym
- Disperse Orange 2K Synonym
- Orange RL Synonym
- Disperse Orange P/E Synonym
- Foron Brilliant Orange RL Synonym
- Seriplas Orange 2RL-TP Synonym
- C.I. Disperse Orange 36 Synonym
- Disperse Orange 36 Synonym
- Interatherm Orange P 367 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.36 g/mol | CAS Common Chemistry |
| 323.35600000000005 g/mol | RDKit | |
| 323.356 g/mol | RDKit | |
| Canonical SMILES | N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2)N(=O)=O)C=C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSPPPAFDNHYXNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-161 °C | CAS Common Chemistry |
| Name | Disperse Orange 25 | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 94.89 Ų | RDKit |
| LogP | 4.750180000000004 | RDKit |
| 4.7502 | RDKit | |
| Molar Refractivity | 91.83140000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 323.138224784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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 = 323.36 g/mol. Edit any field — others recompute live.
