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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 Weight: 268.276 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

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 268.276 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 268.096025624 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 20 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 138.22 Ų RDKit

Physical Properties

Property Value Source
LogP 0.7908000000000002 RDKit
molecular_mass 268.28 g/mol Legacy Database
cas-canonical-smile O=C1C=2C(N)=CC=C(N)C2C(=O)C=3C(N)=CC=C(N)C13 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=JSFUMBWFPQSADC-UHFFFAOYSA-N None Legacy Database
cas-melting-point 332 °C None Legacy Database
cas-name Disperse Blue 1 None Legacy Database

Molar

Property Value Source
Molar Refractivity 77.3986 RDKit

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