1. Primary Information
| English name: | Celestine blue |
| CAS No.: | 1562-90-9 |
| Molecular formula: | C17H18ClN3O4 |
| Molecular weight: | 363.8 g/mol |
| SMILES: | CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-] |
| Structural class: | |
| Other identifiers: |
C.I. mordant blue 14 Celestine Blue celestine Blue B |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | FMP，65% | 116 | RT | in stock | - |
| Kehua Intelligence | 5g | FMP，65% | 416 | RT | in stock | - |
| Kehua Intelligence | 25g | FMP，65% | 1440 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carbonyl]azanium;chloride
4.2 InChI
InChI=1S/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8,19H,3-4H2,1-2H3,(H2,18,23);1H
4.3 InChIKey
REPMZEQSQQAHJR-UHFFFAOYSA-N
4.4 Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
