Research chemical
CAS Number: 100811-78-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58014
Exact Mass
432.202538
InChIKey
JERWAZWOGZRFTL-UHFFFAOYSA-N
IUPAC Name
dihydrogen phosphate;3-piperidin-1-ium-1-ylpropyl 4-amino-2-butoxybenzoate
SMILES String
CCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.OP(=O)(O)[O-]
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.
Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate is identified by CAS 100811-78-7, with molecular formula C19H33N2O7P, molecular weight 432.4, InChIKey JERWAZWOGZRFTL-UHFFFAOYSA-N.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
29
H-bond acceptors
9
H-bond donors
5
Rotatable bonds
9
Ring count
2
Aromatic rings
1
Topological polar surface area
146.58 Ų
Computed LogP
0.5
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate (CAS 100811-78-7) is an English MolGraph catalog reference, molecular formula C19H33N2O7P and molecular weight 432. 40 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.