Research chemical
CAS Number: 65059-61-2
![1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt) molecular structure, CAS 65059-61-2](/structure-images/65059-61-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
103088
Exact Mass
946.725519
InChIKey
TWNJSZBYPPKSFE-UHFFFAOYSA-M
IUPAC Name
2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]-methyl-(2-octadec-10-enoyloxypropyl)azanium;methyl sulfate
SMILES String
CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.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.
1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt) is identified by CAS 65059-61-2, with molecular formula C52H102N2O10S, molecular weight 947.4, InChIKey TWNJSZBYPPKSFE-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
65
H-bond acceptors
12
H-bond donors
2
Rotatable bonds
44
Ring count
0
Aromatic rings
0
Topological polar surface area
162.73 Ų
Computed LogP
11.53
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
40 g/mol, PubChem CID 103088.
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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