酸性蓝100

Description

Acid Blue 100 · CAS 5863-47-8 · C39H48N3NaO7S2. UNII NS00122117.

Identification

CAS Registry Number	5863-47-8
PubChem CID	165364
Molecular formula	C39H48N3NaO7S2
IUPAC name	sodium 2-[N-butyl-4-[[4-[butyl(2-sulfonatoethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(4-ethoxyanilino)phenyl]methyl]anilino]ethanesulfonate
UNII (FDA)	NS00122117

Computed Descriptors

Molecular Weight	757.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Exact Mass	757.28313751
Monoisotopic Mass	757.28313751
Topological Polar Surface Area	159
Heavy Atom Count	52
Formal Charge	0
Complexity	1280

Documented Uses

• 1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1): INACTIVE

Synonyms

RefChem:430832; C.I. Acid Blue 100; 5863-47-8; Acid blue 100; EINECS 227-512-9; SCHEMBL29433950; DTXSID80974174; NETSNTQRMHVIEK-UHFFFAOYSA-M; NS00122117

Frequently Asked Questions

What are the CAS number and molecular formula of Acid Blue 100?

CAS 5863-47-8; molecular formula C39H48N3NaO7S2; molecular weight — g/mol.

What other names is Acid Blue 100 known by?

RefChem:430832, C.I. Acid Blue 100, 5863-47-8, Acid blue 100, EINECS 227-512-9, SCHEMBL29433950.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.