Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate

CAS

94107-94-5

Catalog Number

ACM94107945

Category

Other Products

Molecular Weight

501.486870 [g/mol]

Molecular Formula

C₂₄H₂₁N₃O₆SNa

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 302-331-9, EINECS 302-554-1, 1-Amino-4-(3-(isopropylamino)carbonylanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt, 94107-94-5, 94110-14-2, Sodium 1-amino-9,10-dihydro-4-((3-(((1-methylethyl)amino)carbonyl)phenyl)amino)-9,10-dioxoanthracen-2-sulphonate

IUPAC Name

sodium 1-amino-9,10-dioxo-4-[3-(propan-2-ylcarbamoyl)anilino]anthracene-2-sulfonate

Canonical SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI Key

RAUAAKTVCYLZKP-UHFFFAOYSA-M

EC Number

302-331-9

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The molecular formula is C24H20N3NaO6S.

What is the molecular weight of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The molecular weight is 501.5 g/mol.

What are the synonyms of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

Synonyms include 94110-14-2, 94107-94-5, EINECS 302-331-9, and more.

What is the IUPAC name of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The IUPAC name is sodium;1-amino-9,10-dioxo-4-[3-(propan-2-ylcarbamoyl)anilino]anthracene-2-sulfonate.

What is the InChI key of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The InChI key is RAUAAKTVCYLZKP-UHFFFAOYSA-M.

How many hydrogen bond donor counts does Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate have?

It has 3 hydrogen bond donor counts.

What is the exact mass of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The exact mass is 501.09705082 g/mol.

How many rotatable bond counts does Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate have?

It has 5 rotatable bond counts.

What is the topological polar surface area of Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate?

The topological polar surface area is 167 Å².

How many heavy atom counts does Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulfonate have?

It has 35 heavy atom counts.

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