Research chemical
CAS Number: 28719-79-1
![1,2-Ethanediaminium, N1-[2-[dimethyl[2-(octadecyloxy)-2-oxoethyl]ammonio]ethyl]-N1,N2,N2-trimethyl-N1,N2-bis[2-(octadecyloxy)-2-oxoethyl]-, chloride (1:3) molecular structure, CAS 28719-79-1](/structure-images/28719-79-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168829
Exact Mass
1211.980772
InChIKey
MLOCGFBEDIYDHX-UHFFFAOYSA-K
IUPAC Name
bis[2-[dimethyl-(2-octadecoxy-2-oxoethyl)azaniumyl]ethyl]-methyl-(2-octadecoxy-2-oxoethyl)azanium trichloride
SMILES String
CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC.[Cl-].[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.
1,2-Ethanediaminium, N1-[2-[dimethyl[2-(octadecyloxy)-2-oxoethyl]ammonio]ethyl]-N1,N2,N2-trimethyl-N1,N2-bis[2-(octadecyloxy)-2-oxoethyl]-, chloride (1:3) is identified by CAS 28719-79-1, with molecular formula C69H140Cl3N3O6, molecular weight 1214.2, InChIKey MLOCGFBEDIYDHX-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
81
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
63
Ring count
0
Aromatic rings
0
Topological polar surface area
78.9 Ų
Computed LogP
10.01
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
20 g/mol, PubChem CID 168829.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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