Research chemical
CAS Number: 42882-49-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
39335
Exact Mass
492.231034
InChIKey
SKAIDNLQXHJERU-UHFFFAOYSA-N
IUPAC Name
benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride
SMILES String
C1CCC2=C(CC1)C=C(C=C2)C(=O)C[NH+](CCC[NH+]3CCOCC3)CC4=CC=CC=C4.[Cl-].[Cl-]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1) is identified by CAS 42882-49-5, with molecular formula C27H38Cl2N2O2, molecular weight 493.5, InChIKey SKAIDNLQXHJERU-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
9
Ring count
4
Aromatic rings
2
Topological polar surface area
35.18 Ų
Computed LogP
-4.46
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
Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1) (CAS 42882-49-5) is maintained as a commercial cas reference with formula C27H38Cl2N2O2, molecular weight 493.
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 nitrogen-containing heterocycle.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.