Basic blue 66

CAS

94233-04-2

Catalog Number

ACM94233042

Category

Other Products

Molecular Weight

598.3112

Molecular Formula

C₂₂H₂₈N₅O₂S?Cl₃Zn

MSDS COA Spec Sheet

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What is the PubChem CID of the compound?

The PubChem CID of the compound is 82976.

What is the molecular formula of the compound?

The molecular formula of the compound is C22H28ClN5O2S.

What are the synonyms of the compound?

The synonyms of the compound include 12221-38-4, basic blue 66, and 3-(3-AMINO-3-OXOPROPYL)-2-[[4-(DIETHYLAMINO)PHENYL]AZO]-6-ETHOXYBENZOTHIAZOLIUM CHLORIDE.

What is the molecular weight of the compound?

The molecular weight of the compound is 462.0 g/mol.

What is the parent compound of the compound?

The parent compound of the compound is CID 82977 (3-[2-[[4-(Diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide).

What are the component compounds of the compound?

The component compounds of the compound are CID 82977 (3-[2-[[4-(Diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide) and CID 313 (Hydrochloric Acid).

When was the compound created and last modified?

The compound was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide; chloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H27N5O2S.ClH/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);1H.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].

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