Research chemical
CAS Number: 6846-21-5
![1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) molecular structure, CAS 6846-21-5](/structure-images/6846-21-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
81285
Exact Mass
575.00451
InChIKey
RDATXYOAATWVCR-UHFFFAOYSA-L
IUPAC Name
disodium;8-(4-acetamidoanilino)-5-amino-9,10-dioxoanthracene-1,6-disulfonate
SMILES String
CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) is identified by CAS 6846-21-5, with molecular formula C22H15N3Na2O9S2, molecular weight 575.5, InChIKey RDATXYOAATWVCR-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
38
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
5
Ring count
4
Aromatic rings
3
Topological polar surface area
215.69 Ų
Computed LogP
-4.44
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) (CAS 6846-21-5) is maintained as a commercial cas reference with formula C22H15N3Na2O9S2, molecular weight 575. 50 g/mol, PubChem CID 81285.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.