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Disperse Blue 60
CAS: 12217-80-0 | C20H17N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12217-80-0
Molecular Formula:
C20H17N3O5
Molecular Weight:
379.3720000000002 g/mol
Names and Synonyms:
Disperse Blue 60
Common Name
B 60
Synonym
Qualsperse Blue BNS
Synonym
Disperse Turquoise Blue 60
Synonym
Turquoise Blue S-GL
Synonym
Serilene Brilliant Blue 2GN
Synonym
Terasil BR Blue BGE 200-017
Synonym
Samaron Brilliant Blue R-GL
Synonym
Resolin Brilliant Blue BGL 200
Synonym
Sodyecron Brilliant Blue BGE 200
Synonym
Sumiplast Turquoise Blue G
Synonym
Dianix Turquoise Blue S-BG
Synonym
Kayalon Polyester Turquoise Blue GL-S 200%
Synonym
Sumikaron Turquoise Blue S-GLF
Synonym
Synten Blue P-BGFN
Synonym
Disperse Turquoise Blue GL
Synonym
Terasil Blue BGE 01-200
Synonym
Terasil Blue BGE 01
Synonym
Disperse Turquoise Blue S-GL
Synonym
Palanil Brilliant Blue BG-M
Synonym
Sumikaron Turquoise Blue S-GL 200
Synonym
Sumikaron Turquoise Blue S-GL double liquid
Synonym
Terasil Brilliant Blue BGE
Synonym
Teratop Blue BGE
Synonym
Polycron Turquoise Blue GLP
Synonym
Kayaset B 766
Synonym
TS Turquoise Blue 606
Synonym
Resolin Brilliant Blue BGL
Synonym
Terasil Blue BGE
Synonym
C.I. 61104
Synonym
Disperse Blue 99
Synonym
Palanil Brilliant Blue BG
Synonym
Genacron Brilliant Blue 8G
Synonym
Kayalon Polyester Turquoise Blue GL-S
Synonym
Sumikaron Turquoise Blue S-GL
Synonym
Kayalon Polyester Turquoise Blue GGF
Synonym
C.I. Disperse Blue 99
Synonym
Tersetile Turquoise GL
Synonym
Miketon Polyester Brilliant Blue BG
Synonym
Disperse Blue 60
Synonym
Latyl Brilliant Blue BG
Synonym
Sumikaron Turquoise Blue G
Synonym
Samaron Blue FFBL
Synonym
4,11-Diamino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
Synonym
2,3-Anthraquinonedicarboximide, 1,4-diamino-N-(3-methoxypropyl)-
Synonym
2,3-Anthracenedicarboximide, 1,4-diamino-9,10-dihydro-N-(3-methoxypropyl)-9,10-dioxo-
Synonym
C.I. Disperse Blue 60
Synonym
1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-
Synonym
Identifiers:
SMILES:
COCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 379.3720000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 379.11682064400003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 134.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.4649999999999996 | RDKit |
| molecular_mass | 379.37 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C4C(=O)N(C(=O)C4=C(N)C13)CCCOC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=WBCXRDHKXHADQF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Disperse Blue 60 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 109.71980000000006 | RDKit |