Research chemical
CAS Number: 112677-52-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16194082
Exact Mass
201.06689
InChIKey
KPHGAWMDLGVFGN-UHFFFAOYSA-N
IUPAC Name
2-(3-methoxyphenyl)guanidine;hydrochloride
SMILES String
COc1cccc(NC(=N)N)c1.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.
N-(3-Methoxy-phenyl)-guanidine hydrochloride is identified by CAS 112677-52-8, with molecular formula C8H12ClN3O, molecular weight 201.65, InChIKey KPHGAWMDLGVFGN-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Trace amine-associated receptor 1. These records do not establish therapeutic efficacy or clinical use.
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.
Heavy atom count
13
H-bond acceptors
4
H-bond donors
4
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
71.13 Ų
Computed LogP
1.42
Fragment-like structure rule
No
Lead-like structure rule
No
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
N-(3-Methoxy-phenyl)-guanidine hydrochloride (CAS 112677-52-8) is listed in the Advanced Chemicals portfolio, with molecular formula C8H12ClN3O and molecular weight 201. 65 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
ChEMBL reports experimental activity evidence for: Trace amine-associated receptor 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Trace amine-associated receptor 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.73
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference