Research chemical
CAS Number: 5995-31-3
![[(Octylimino)bis(methylene)]bisphosphonic acid molecular structure, CAS 5995-31-3](/structure-images/5995-31-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
80098
Exact Mass
317.115712
InChIKey
YUABCDNZADIENZ-UHFFFAOYSA-N
IUPAC Name
[octyl(phosphonomethyl)amino]methylphosphonic acid
SMILES String
CCCCCCCCN(CP(=O)(O)O)CP(=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
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
[(Octylimino)bis(methylene)]bisphosphonic acid is identified by CAS 5995-31-3, with molecular formula C10H25NO6P2, molecular weight 317.26, InChIKey YUABCDNZADIENZ-UHFFFAOYSA-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.
Heavy atom count
19
H-bond acceptors
7
H-bond donors
4
Rotatable bonds
11
Ring count
0
Aromatic rings
0
Topological polar surface area
118.3 Ų
Computed LogP
1.92
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
[(Octylimino)bis(methylene)]bisphosphonic acid (CAS 5995-31-3) is maintained as a commercial cas reference with formula C10H25NO6P2, molecular weight 317. 26 g/mol, PubChem CID 80098.
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, 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.