AMACID BLUE A

CAS
96119-45-8
Catalog Number
ACM96119458
Category
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Specification

Synonyms
AMACID BLUE A;CI 42052;AO202;Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl(phenylmethyl)amino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-, hydroxide, inner salt, calcium salt (2:1) (9ci);Benzenemethanaminium, N-ethyl-N-(4
What is the molecular formula of AMACID BLUE A?

The molecular formula of AMACID BLUE A is C37H37N2O7S2.

When was AMACID BLUE A created and last modified in PubChem?

AMACID BLUE A was created on March 26, 2005, and last modified on December 30, 2023.

What is the IUPAC Name of AMACID BLUE A?

The IUPAC Name of AMACID BLUE A is benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(5-hydroxy-2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium.

What is the InChIKey of AMACID BLUE A?

The InChIKey of AMACID BLUE A is HKTCVYHTGCMMTJ-UHFFFAOYSA-O.

What is the Canonical SMILES of AMACID BLUE A?

The Canonical SMILES of AMACID BLUE A is CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=CC(=C(C=C5S(=O)(=O)O)S(=O)(=O)O)O.

What is the CAS number for AMACID BLUE A?

The CAS number for AMACID BLUE A is 3374-30-9.

What is the XLogP3-AA value for AMACID BLUE A?

The XLogP3-AA value for AMACID BLUE A is 6.2.

How many hydrogen bond donor counts does AMACID BLUE A have?

AMACID BLUE A has 3 hydrogen bond donor counts.

What is the exact mass of AMACID BLUE A?

The exact mass of AMACID BLUE A is 685.20421887 g/mol.

Is AMACID BLUE A considered a canonicalized compound?

Yes, AMACID BLUE A is considered a canonicalized compound.

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