Research chemical
CAS Number: 100522-04-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
44888630
Exact Mass
227.144077
InChIKey
LELOMFPGOABRJJ-UHFFFAOYSA-N
IUPAC Name
N-(3-phenylpropyl)butan-1-amine;hydrochloride
SMILES String
CCCCNCCCc1ccccc1.Cl
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Butyl(3-phenylpropyl)amine hydrochloride is identified by CAS 100522-04-1, with molecular formula C13H22ClN, molecular weight 227.77, InChIKey LELOMFPGOABRJJ-UHFFFAOYSA-N.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
15
H-bond acceptors
1
H-bond donors
1
Rotatable bonds
7
Ring count
1
Aromatic rings
1
Topological polar surface area
12.03 Ų
Computed LogP
3.43
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.
Structural features
Butyl(3-phenylpropyl)amine hydrochloride (CAS 100522-04-1) is an English MolGraph catalog reference, molecular formula C13H22ClN and molecular weight 227. 77 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.