Research chemical
CAS Number: 13441-22-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
83454
Exact Mass
850.668004
InChIKey
LWMWHBRMDHVVHW-UHFFFAOYSA-M
IUPAC Name
2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate
SMILES String
CCCCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-]
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.
Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1) is identified by CAS 13441-22-0, with molecular formula C46H94N2O9S, molecular weight 851.3, InChIKey LWMWHBRMDHVVHW-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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
58
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
43
Ring count
0
Aromatic rings
0
Topological polar surface area
153.5 Ų
Computed LogP
10.41
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
Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1) (CAS 13441-22-0) is maintained as a commercial cas reference with formula C46H94N2O9S, molecular weight 851.
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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.