Research chemical
CAS Number: 61886-48-4
![1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1) molecular structure, CAS 61886-48-4](/structure-images/61886-48-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
112767
Exact Mass
396.265794
InChIKey
ZIUNFPOGTUSDFY-UHFFFAOYSA-N
IUPAC Name
ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate
SMILES String
CCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=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-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1) is identified by CAS 61886-48-4, with molecular formula C18H40N2O5S, molecular weight 396.6, InChIKey ZIUNFPOGTUSDFY-UHFFFAOYSA-N.
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
26
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
14
Ring count
0
Aromatic rings
0
Topological polar surface area
95.53 Ų
Computed LogP
2.82
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1) (CAS 61886-48-4) is maintained as a commercial cas reference with formula C18H40N2O5S, molecular weight 396. 60 g/mol, PubChem CID 112767.
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 drug-like rule profile.
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.