Research chemical
CAS Number: 1040682-91-4
![3-(Hexyloxy)-N-{2-[4-(tert-pentyl)phenoxy]-ethyl}aniline molecular structure, CAS 1040682-91-4](/structure-images/1040682-91-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
28308773
Exact Mass
383.282429
InChIKey
LOOIECMLJXVUHG-UHFFFAOYSA-N
IUPAC Name
3-hexoxy-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
SMILES String
CCCCCCOc1cccc(NCCOc2ccc(C(C)(C)CC)cc2)c1
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.
3-(Hexyloxy)-N-{2-[4-(tert-pentyl)phenoxy]-ethyl}aniline is identified by CAS 1040682-91-4, with molecular formula C25H37NO2, molecular weight 383.6, InChIKey LOOIECMLJXVUHG-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
28
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
13
Ring count
2
Aromatic rings
2
Topological polar surface area
30.49 Ų
Computed LogP
6.82
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
3-(Hexyloxy)-N-{2-[4-(tert-pentyl)phenoxy]-ethyl}aniline (CAS 1040682-91-4) is maintained as a cataloged research chemical with formula C25H37NO2, molecular weight 383. 60 g/mol, PubChem CID 28308773.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
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 Request