Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Brilliant green
CAS No.: 633-03-4
Molecular formula: C27H34N2O4S
Molecular weight: 482.6 g/mol
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]
Structural class:
Other identifiers:

(4-(4-(diethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium sulfate

(4-(p-(diethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium sulfate

benzenaminium, 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N-ethyl-N,N-dimethyl-, bromide chloride (1:1:1)

brilliant green

ethyl green

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 100ml 1% 80 RT,避光,12个月 in stock -
Kehua Intelligence 100ml 2% 104 RT,避光,12个月 in stock -
Kehua Intelligence 100ml 5% 240 RT 12个月 in stock -
Kehua Intelligence 100ml 0.0-2.6 72 RT,避光,12个月 in stock -
Kehua Intelligence 25g BS,85% 78 RT in stock -
Kehua Intelligence 100g BS,85% 224 RT in stock -
Kehua Intelligence 500g BS,85% 768 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate


4.2 InChI

InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1


4.3 InChIKey

NNBFNNNWANBMTI-UHFFFAOYSA-M


4.4 Canonical SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=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 --