CAS
94107-91-2 Purity
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94107-91-2 Purity
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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
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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
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
8
H-Bond Donor
3
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 Ų.
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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