考马斯亮蓝G250 (CAS 6104-58-1)

C.I. Acid Blue 90

CAS 6104-58-1  ·  C₄₇H₄₈N₃NaO₇S₂  ·  MW 854.0 g/mol

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3D model C.I. Acid Blue 90, CAS 6104-58-1, molecular formula C₄₇H₄₈N₃NaO₇S₂, molar mass 854.0 g/mol
About 考马斯亮蓝G250 (CAS 6104-58-1)

考马斯亮蓝G250 (CAS 6104-58-1) is a chemical compound registered under number CAS 6104-58-1, with the molecular formula C₄₇H₄₈N₃NaO₇S₂, and a molar mass of 854.0 g/mol.

The molecule contains 108 atoms connected by 112 chemical bonds. The full systematic IUPAC name of this compound is sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 159 Ų, 1 donors and 9 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC₄₇H₄₈N₃NaO₇S₂
Masa molowa854.0 g/mol
IUPACsodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
SMILESCCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]
InChIKeyRWVGQQGBQSJDQV-UHFFFAOYSA-M
logP (XLogP3)
PSA159 Ų
HBD / HBA1 / 9
PubChem CIDCID 61363 ↗
GHS safety
GHS09
GHS09
Scientific literature

Brak artykułów naukowych dla CAS 6104-58-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Brilliant Blue G · 6104-58-1 · Acid Blue 90 · C.I. Acid Blue 90 · Derma Cyanine G · Impero Azure G · Benzyl Cyanine G · Brilliant Blue J · Coomassie Blue G 250 · Optanol Cyanine G · Fenazo Blue XXFG · Acidine Sky Blue G · Silk Fast Cyanine G · Water Blue 150 · tissueblue
Data sources
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