CAS
94349-46-9 Purity
96%
94349-46-9 Purity
96%
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Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate
CAS
94349-50-5
Catalog Number
ACM94349505
Category
Other Products
Molecular Weight
396.349690 [g/mol]
Molecular Formula
C17H14N2O6SNa
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Specification
Synonyms
EINECS 305-168-1, CID3024344, Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-((1-oxopropyl)amino)anthracene-2-sulphonate, 94349-50-5
IUPAC Name
sodium 1-amino-9,10-dioxo-4-(propanoylamino)anthracene-2-sulfonate
Canonical SMILES
CCC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)[O-].[Na+]
InChI Key
JHAHDCPFQOBOIT-UHFFFAOYSA-M
EC Number
305-168-1
Exact Mass
396.03900
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
The molecular formula is C17H13N2NaO6S.
When was Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate created?
It was created on 2008-02-05.
What is the molecular weight of Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
The molecular weight is 396.4 g/mol.
Is Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate a parent compound?
No, it is not a parent compound. The parent compound is CID 3024345.
What are some synonyms for Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
Some synonyms include EINECS 305-168-1 and DTXSID80241439.
What is the InChIKey for Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
The InChIKey is JHAHDCPFQOBOIT-UHFFFAOYSA-M.
How many hydrogen bond donor counts does Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
The topological polar surface area is 155 Ų.
Is Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate considered to be canonicalized?
Yes, the compound is canonicalized.
How many heavy atoms are present in Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulfonate?
There are 27 heavy atoms in the compound.
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