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Disperse Orange 25
CAS: 31482-56-1 | C17H17N5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31482-56-1
Molecular Formula:
C17H17N5O2
Molecular Mass:
323.36 g/mol
Names and Synonyms:
Disperse Orange 25
Propanenitrile, 3-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
Propionitrile, 3-[N-ethyl-p-[(p-nitrophenyl)azo]anilino]-
Propanenitrile, 3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-
3-[Ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile
4-[N-(2-Cyanoethyl)-N-ethylamino]-4′-nitroazobenzene
C.I. Disperse Orange 25
Artisil Brilliant Orange RL
Eastman Polyester Brilliant Orange 2RL
Serilene Orange 2RL
Tersetile Orange RCL
Latyl Orange NST
Foron Brilliant Orange E-RL
Resiren Orange TR
Disperse Orange 25
Transetile Orange P-RCL
Disperse Polyester Orange
Fantagen Orange 2RL
Disperse Brilliant Orange RL
Dispersol Orange B 2R
C.I. Solvent Orange 105
Solvent Orange 105
Synten Orange P-RL
Resolin Orange F 3R200
Dispersol Orange B 2R200
Serilene Orange 2RL200
Foron Brilliant Orange E-RLI
Serene Disperse Orange 25
Disperse Orange 2K
Orange RL
Disperse Orange P/E
Foron Brilliant Orange RL
Seriplas Orange 2RL-TP
C.I. Disperse Orange 36
Disperse Orange 36
Interatherm Orange P 367
Identifiers:
SMILES:
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
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
Key Properties
Melting Point
160-161 °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 | 323.36 g/mol | CAS Common Chemistry |
| 323.35600000000005 g/mol | RDKit | |
| 323.138224784 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 |
| Molar Refractivity | 91.83140000000002 | RDKit |
