Research chemical
CAS Number: 68958-49-6
![Octadecanoic acid, diamide with 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propanenitrile molecular structure, CAS 68958-49-6](/structure-images/68958-49-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
111924
Exact Mass
688.659428
InChIKey
GSDRHHBTWYHUJM-UHFFFAOYSA-N
IUPAC Name
N-[2-[2-(2-cyanoethylamino)ethyl-octadecanoylamino]ethyl]octadecanamide
SMILES String
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC
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.
Octadecanoic acid, diamide with 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propanenitrile is identified by CAS 68958-49-6, with molecular formula C43H84N4O2, molecular weight 689.2, InChIKey GSDRHHBTWYHUJM-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
49
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
40
Ring count
0
Aromatic rings
0
Topological polar surface area
85.23 Ų
Computed LogP
11.96
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
Octadecanoic acid, diamide with 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propanenitrile (CAS 68958-49-6) is maintained as a commercial cas reference with formula C43H84N4O2, molecular weight 689. 20 g/mol, PubChem CID 111924.
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.
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.