42373-04-6 Purity
96%
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Specification
The PubChem CID for Basic Blue 41 is 83008.
The molecular formula of Basic Blue 41 is C20H26N4O6S2.
The molecular weight of Basic Blue 41 is 482.6 g/mol.
Basic Blue 41 was created on 2005-08-08 and last modified on 2023-12-23.
Some synonyms for Basic Blue 41 include C.I. Basic Blue 41 and C.I. Basic Blue 41.
The IUPAC name of Basic Blue 41 is 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate.
The Canonical SMILES of Basic Blue 41 is CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.COS(=O)(=O)[O-].
The InChIKey of Basic Blue 41 is MHOFGBJTSNWTDT-UHFFFAOYSA-M.
The exact mass of Basic Blue 41 is 482.12937691 g/mol.
Basic Blue 41 has 10 hydrogen bond acceptors.
The InChI key of Basic Blue 41 is MHOFGBJTSNWTDT-UHFFFAOYSA-M.
The CAS number for Basic Blue 41 is 12270-13-2.
There are 10 hydrogen bond acceptor counts in Basic Blue 41.
The topological polar surface area of Basic Blue 41 is 164 Å2.
There are 7 rotatable bond counts in Basic Blue 41.
The complexity value of Basic Blue 41 is 550.