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Molecule

Disperse Blue 60

CAS: 12217-80-0 · C20H17N3O5

2D Structure

3D Structure

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Basic Information

CAS Registry Number
12217-80-0
Molecular Formula
C20H17N3O5
Molecular Mass
379.37 g/mol

Identifiers

CAS Registry Number

12217-80-0

SMILES

COCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O

InChI Key

WBCXRDHKXHADQF-UHFFFAOYSA-N

InChI

InChI=1S/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3

Names and Synonyms

  • Disperse Blue 60 Common Name
  • 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)- Synonym
  • C.I. Disperse Blue 60 Synonym
  • 2,3-Anthracenedicarboximide, 1,4-diamino-9,10-dihydro-N-(3-methoxypropyl)-9,10-dioxo- Synonym
  • 2,3-Anthraquinonedicarboximide, 1,4-diamino-N-(3-methoxypropyl)- Synonym
  • 4,11-Diamino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone Synonym
  • Samaron Blue FFBL Synonym
  • Sumikaron Turquoise Blue G Synonym
  • Latyl Brilliant Blue BG Synonym
  • Disperse Blue 60 Synonym
  • Miketon Polyester Brilliant Blue BG Synonym
  • Tersetile Turquoise GL Synonym
  • C.I. Disperse Blue 99 Synonym
  • Kayalon Polyester Turquoise Blue GGF Synonym
  • Sumikaron Turquoise Blue S-GL Synonym
  • Kayalon Polyester Turquoise Blue GL-S Synonym
  • Genacron Brilliant Blue 8G Synonym
  • Palanil Brilliant Blue BG Synonym
  • Disperse Blue 99 Synonym
  • C.I. 61104 Synonym
  • Terasil Blue BGE Synonym
  • Resolin Brilliant Blue BGL Synonym
  • TS Turquoise Blue 606 Synonym
  • Kayaset B 766 Synonym
  • Polycron Turquoise Blue GLP Synonym
  • Teratop Blue BGE Synonym
  • Terasil Brilliant Blue BGE Synonym
  • Sumikaron Turquoise Blue S-GL double liquid Synonym
  • Sumikaron Turquoise Blue S-GL 200 Synonym
  • Palanil Brilliant Blue BG-M Synonym
  • Disperse Turquoise Blue S-GL Synonym
  • Terasil Blue BGE 01 Synonym
  • Terasil Blue BGE 01-200 Synonym
  • Disperse Turquoise Blue GL Synonym
  • Synten Blue P-BGFN Synonym
  • Sumikaron Turquoise Blue S-GLF Synonym
  • Kayalon Polyester Turquoise Blue GL-S 200% Synonym
  • Dianix Turquoise Blue S-BG Synonym
  • Sumiplast Turquoise Blue G Synonym
  • Sodyecron Brilliant Blue BGE 200 Synonym
  • Resolin Brilliant Blue BGL 200 Synonym
  • Samaron Brilliant Blue R-GL Synonym
  • Terasil BR Blue BGE 200-017 Synonym
  • Serilene Brilliant Blue 2GN Synonym
  • Turquoise Blue S-GL Synonym
  • Disperse Turquoise Blue 60 Synonym
  • Qualsperse Blue BNS Synonym
  • B 60 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 379.37 g/mol CAS Common Chemistry
379.3720000000002 g/mol RDKit
379.372 g/mol RDKit
Canonical SMILES O=C1C=2C=CC=CC2C(=O)C=3C(N)=C4C(=O)N(C(=O)C4=C(N)C13)CCCOC CAS Common Chemistry
InChI InChI=1S/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3 CAS Common Chemistry
InChI Key InChIKey=WBCXRDHKXHADQF-UHFFFAOYSA-N CAS Common Chemistry
Name Disperse Blue 60 CAS Common Chemistry
Heavy Atom Count 28 RDKit
Hydrogen Bond Acceptors 8 RDKit
7 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 134.48 Ų RDKit
141.55 Ų chempirical lib
LogP 0.4649999999999996 RDKit
0.465 RDKit
Molar Refractivity 109.71980000000006 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.2 RDKit
Exact Mass 379.11682064400003 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

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 = 379.37 g/mol. Edit any field — others recompute live.

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