Research chemical
CAS Number: 1296211-78-3
![4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride molecular structure, CAS 1296211-78-3](/structure-images/1296211-78-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
145710081
Exact Mass
716.362382
InChIKey
BIMYMMDLQUWTSZ-YHPRVSEPSA-N
IUPAC Name
butyl-[[4-[[4-[(E)-2-[4-[[4-[[butyl(dimethyl)azaniumyl]methyl]benzoyl]amino]phenyl]ethenyl]phenyl]carbamoyl]phenyl]methyl]-dimethylazanium dichloride
SMILES String
CCCC[N+](C)(C)Cc1ccc(C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)c4ccc(C[N+](C)(C)CCCC)cc4)cc3)cc2)cc1.[Cl-].[Cl-]
No physical property values available.
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.
4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride is identified by CAS 1296211-78-3, with molecular formula C42H54Cl2N4O2, molecular weight 717.8, InChIKey BIMYMMDLQUWTSZ-YHPRVSEPSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
16
Ring count
4
Aromatic rings
4
Topological polar surface area
58.2 Ų
Computed LogP
3.12
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
4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride (CAS 1296211-78-3) is maintained as a commercial cas reference with formula C42H54Cl2N4O2, molecular weight 717. 80 g/mol, PubChem CID 145710081.
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.