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Disperse Blue 1
CAS: 2475-45-8 | C14H12N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2475-45-8
Molecular Formula:
C14H12N4O2
Molecular Mass:
268.28 g/mol
Names and Synonyms:
Disperse Blue 1
9,10-Anthracenedione, 1,4,5,8-tetraamino-
Duranol Brilliant Blue CB
Anthraquinone, 1,4,5,8-tetraamino-
1,4,5,8-Tetraamino-9,10-anthracenedione
C.I. 64500
Acetate Blue G
Acetoquinone Blue R
Acetylon Fast Blue G
Amacel Blue GG
Amacel Pure Blue B
Artisil Blue SAP
Brasilazet Blue GR
Celanthrene Pure Blue BRS
Celliton Blue G
Celliton Blue BB-CF
Celliton Blue Extra
Celliton Blue GA-CF
Cibacet Sapphire Blue G
Cilla Blue Extra
C.I. Disperse Blue 1
C.I. Solvent Blue 18
Diacelliton Fast Blue R
Fenacet Blue G
Grasol Blue 2GS
Kayalon Fast Blue BR
Microsetile Blue EB
Miketon Fast Blue
Miketon Fast Blue B
Nacelan Blue G
Neosetile Blue EB
Nyloquinone Blue 2J
Oracet Sapphire Blue G
Perliton Blue B
Serinyl Blue 2G
Serinyl Blue 3G
Serinyl Blue 3GN
Setacyl Blue 2GS
Setacyl Blue 2GS II
Supracet Brilliant Blue 2GN
Supracet Deep Blue R
1,4,5,8-Tetraaminoanthraquinone
Acetoquinone blue L
Disperse Blue 1
Artisil Blue SAP Conc
1,4,5,8-Tetraamino-9,10-anthraquinone
NSC 39936
Akasperse Blue R
Solvent Blue 18
Identifiers:
SMILES:
Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O
InChI:
InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
Key Properties
Melting Point
332 °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 | 268.28 g/mol | CAS Common Chemistry |
| 268.276 g/mol | RDKit | |
| 268.096025624 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C(N)=CC=C(N)C2C(=O)C=3C(N)=CC=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JSFUMBWFPQSADC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 332 °C | CAS Common Chemistry |
| Name | Disperse Blue 1 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 138.22 Ų | RDKit |
| LogP | 0.7908000000000002 | RDKit |
| Molar Refractivity | 77.3986 | RDKit |
