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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
B 60
Qualsperse Blue BNS
Disperse Turquoise Blue 60
Turquoise Blue S-GL
Serilene Brilliant Blue 2GN
Terasil BR Blue BGE 200-017
Samaron Brilliant Blue R-GL
Resolin Brilliant Blue BGL 200
Sodyecron Brilliant Blue BGE 200
Sumiplast Turquoise Blue G
Dianix Turquoise Blue S-BG
Kayalon Polyester Turquoise Blue GL-S 200%
Sumikaron Turquoise Blue S-GLF
Synten Blue P-BGFN
Disperse Turquoise Blue GL
Terasil Blue BGE 01-200
Terasil Blue BGE 01
Disperse Turquoise Blue S-GL
Palanil Brilliant Blue BG-M
Sumikaron Turquoise Blue S-GL 200
Sumikaron Turquoise Blue S-GL double liquid
Terasil Brilliant Blue BGE
Teratop Blue BGE
Polycron Turquoise Blue GLP
Kayaset B 766
TS Turquoise Blue 606
Resolin Brilliant Blue BGL
Terasil Blue BGE
C.I. 61104
Disperse Blue 99
Palanil Brilliant Blue BG
Genacron Brilliant Blue 8G
Kayalon Polyester Turquoise Blue GL-S
Sumikaron Turquoise Blue S-GL
Kayalon Polyester Turquoise Blue GGF
C.I. Disperse Blue 99
Tersetile Turquoise GL
Miketon Polyester Brilliant Blue BG
Disperse Blue 60
Latyl Brilliant Blue BG
Sumikaron Turquoise Blue G
Samaron Blue FFBL
4,11-Diamino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
2,3-Anthraquinonedicarboximide, 1,4-diamino-N-(3-methoxypropyl)-
2,3-Anthracenedicarboximide, 1,4-diamino-9,10-dihydro-N-(3-methoxypropyl)-9,10-dioxo-
C.I. Disperse Blue 60
1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 0.4649999999999996 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 109.71980000000006 | RDKit |
