Research chemical
CAS Number: 874221-90-6
![(11bR)-N-Methyl-N-[(S)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine molecular structure, CAS 874221-90-6](/structure-images/874221-90-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
12173505
Exact Mass
449.15446
InChIKey
WZQUIEYZCMZJOB-FQEVSTJZSA-N
IUPAC Name
N-methyl-N-[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILES String
C[C@H](N(C)P1OC2=CC=C3C=CC=CC3=[C@]2[C@]4=C5C=CC=CC5=CC=C4O1)C6=CC=CC=C6
No physical property values available.
(11bR)-N-Methyl-N-[(S)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is identified by CAS 874221-90-6, with molecular formula C29H24NO2P, molecular weight 449.49, InChIKey WZQUIEYZCMZJOB-FQEVSTJZSA-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
33
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
6
Aromatic rings
6
Topological polar surface area
29.52 Ų
Computed LogP
8.93
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 Phosphine Ligand (CAS 874221-90-6) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, 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.
Safety and handling reference content is available through documentation requests.
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.