Research chemical
CAS Number: 20021-06-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
29915
Exact Mass
776.28039
InChIKey
YFLRYKFUAAKYOP-UHFFFAOYSA-L
IUPAC Name
2-[di(propan-2-yloxy)phosphorylamino]ethyl-[8-[2-[di(propan-2-yloxy)phosphorylamino]ethyl-dimethylazaniumyl]octyl]-dimethylazanium dibromide
SMILES String
CC(C)OP(=O)(NCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCNP(=O)(OC(C)C)OC(C)C)OC(C)C.[Br-].[Br-]
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.
Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl ester is identified by CAS 20021-06-1, with molecular formula C28H66Br2N4O6P2, molecular weight 776.6, InChIKey YFLRYKFUAAKYOP-UHFFFAOYSA-L.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
25
Ring count
0
Aromatic rings
0
Topological polar surface area
95.12 Ų
Computed LogP
0.58
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
Ammonium, octamethylenebis(dimethyl(2-(phosphonoamino)ethyl)-, dibromide, tetraisopropyl ester (CAS 20021-06-1) is maintained as a commercial cas reference with formula C28H66Br2N4O6P2, molecular weight 776. 60 g/mol, PubChem CID 29915.
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 phosphine-ligand motif.
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.