Research chemical
CAS Number: 111453-54-4
![2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride molecular structure, CAS 111453-54-4](/structure-images/111453-54-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
67007853
Exact Mass
260.084704
InChIKey
LQADNDJRIUBIRR-UHFFFAOYSA-N
IUPAC Name
2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILES String
Cl.Cl.c1ccc(CN2CC3CC2CN3)cc1
Appearance
Powder or crystals
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
16
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
2
Ring count
3
Aromatic rings
1
Topological polar surface area
15.27 Ų
Computed LogP
2.08
Structural features
2-Benzyl-2,5-diazabicyclo[2. 2. 1]heptane dihydrochloride (CAS 111453-54-4) is maintained as a cataloged research chemical with formula C12H18Cl2N2, molecular weight 261. 19 g/mol, PubChem CID 67007853.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; 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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.