Research chemical
CAS Number: 100836-77-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58074
Exact Mass
312.160456
InChIKey
UQJYAHYLAYAGJS-UHFFFAOYSA-N
IUPAC Name
3-phenylpropyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
SMILES String
C1CC[NH+](C1)CCNC(=O)OCCCC2=CC=CC=C2.[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.
Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride is identified by CAS 100836-77-9, with molecular formula C16H25ClN2O2, molecular weight 312.83, InChIKey UQJYAHYLAYAGJS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
21
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
7
Ring count
2
Aromatic rings
1
Topological polar surface area
42.77 Ų
Computed LogP
-1.97
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
Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride (CAS 100836-77-9) is an English MolGraph catalog reference, molecular formula C16H25ClN2O2 and molecular weight 312. 83 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.