Research chemical
CAS Number: 872164-49-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
163321654
Exact Mass
Not available
InChIKey
NHMCJYDDYSLDIC-BDQAORGHSA-N
IUPAC Name
(2S)-3-phenyl-2-[3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]propan-1-ol hexafluorophosphate
SMILES String
[P+5]([F-])([F-])([F-])([F-])([F-])[F-].CC1=C(C(C)=CC(C)=C1)[N+]2=CN([C@@H](CC3=CC=CC=C3)CO)CC2
No physical property values available.
(S)-1-(1-Hydroxy-3-phenylpropan-2-yl)-3-mesityl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate(V) is identified by CAS 872164-49-3, with molecular formula C21H27F6N2OP, molecular weight 468.42, InChIKey NHMCJYDDYSLDIC-BDQAORGHSA-N.
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
31
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
26.48 Ų
Computed LogP
6.46
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
Research Catalog Compound with Invalid Structure (CAS 872164-49-3) is listed for catalyst/ligand catalog sourcing with family confirmation required.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: research procurement where identity, documentation, and intended workflow are reviewed before use, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.