Research chemical
CAS Number: 101468-12-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58374
Exact Mass
337.144471
InChIKey
DRCDFPKDCUHBLG-UHFFFAOYSA-N
IUPAC Name
3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride
SMILES String
CC1CCCC[NH+]1CCCC2=C(OC3=CC=CC=C32)C(=O)O.[Cl-]
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.
Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride is identified by CAS 101468-12-6, with molecular formula C18H24ClNO3, molecular weight 337.8, InChIKey DRCDFPKDCUHBLG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
23
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
54.88 Ų
Computed LogP
-0.48
Fragment-like structure rule
No
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.
Structural features
Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride (CAS 101468-12-6) is an English MolGraph catalog reference, molecular formula C18H24ClNO3 and molecular weight 337. 80 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.