Research chemical
CAS Number: 52828-97-4
![1,3-Propanediaminium, N1,N1,N1,N3,N3,N3-hexamethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, methyl sulfate (1:2) molecular structure, CAS 52828-97-4](/structure-images/52828-97-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
171207
Exact Mass
466.165488
InChIKey
KSKSIVARDSAPQZ-UHFFFAOYSA-L
IUPAC Name
methyl sulfate;trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
SMILES String
CC(=C)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
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.
1,3-Propanediaminium, N1,N1,N1,N3,N3,N3-hexamethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, methyl sulfate (1:2) is identified by CAS 52828-97-4, with molecular formula C15H34N2O10S2, molecular weight 466.6, InChIKey KSKSIVARDSAPQZ-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
29
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
8
Ring count
0
Aromatic rings
0
Topological polar surface area
159.16 Ų
Computed LogP
-0.93
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
1,3-Propanediaminium, N1,N1,N1,N3,N3,N3-hexamethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, methyl sulfate (1:2) (CAS 52828-97-4) is maintained as a commercial cas reference with formula C15H34N2O10S2, molecular weight 466. 60 g/mol, PubChem CID 171207.
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.
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.