Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate

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CAS
93904-39-3
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Purity
96%
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Catalog Number

ACM93904393

Product Name

Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate

Structure

Structure

CAS

93904-39-3

Category

Heterocyclic Organic Compound

Synonyms

EINECS 299-777-9, CID3022851, Sodium 4-((4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-2-sulphonate, 93904-39-3

IUPAC Name

sodium 5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-methylbenzenesulfonate

Molecular Weight

444.435550 [g/mol]

Molecular Formula

C₂₂H₁₈N₂O₅SNa

Canonical SMILES

CC1=C(C=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+]

InChI Key

CELSKHGNWHNXED-UHFFFAOYSA-M

EC Number

299-777-9

Exact Mass

444.07600

H-Bond Acceptor

7

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The molecular formula is C22H17N2NaO5S.

When was Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate created?

It was created on February 5, 2008.

What is the molecular weight of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The molecular weight is 444.4 g/mol.

What is the IUPAC name of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The IUPAC name is sodium;5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-methylbenzenesulfonate.

What is the Canonical SMILES of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The Canonical SMILES is CC1=C(C=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].

What is the CAS number of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The CAS number is 93904-39-3.

How many hydrogen bond donor counts does Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate have?

It has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

It has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate?

The topological polar surface area is 138 Å^2.

How many covalently-bonded unit counts does Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulfonate have?

It has 2 covalently-bonded unit counts.

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