1. Primary Information
| English name: | Nile Blue A |
| CAS No.: | 3625-57-8 |
| Molecular formula: | C40H40N6O6S |
| Molecular weight: | 732.8 g/mol |
| SMILES: | CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.[O-]S(=O)(=O)[O-] |
| Structural class: | |
| Other identifiers: |
Cresyl Fast Violet Nile Blue nile blue A perchlorate Nile Blue perchlorate nile blue sulfate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | AR，75% | 64 | RT | in stock | - |
| Kehua Intelligence | 25g | AR，75% | 256 | RT | in stock | - |
| Kehua Intelligence | 100g | AR，75% | 640 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;sulfate
4.2 InChI
InChI=1S/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,1,2,3,4)
4.3 InChIKey
QIRDPEPUXNCOLD-UHFFFAOYSA-N
4.4 Canonical SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.[O-]S(=O)(=O)[O-]
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 --
