Research chemical
CAS Number: 13101-26-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
83137
Exact Mass
114.054161
InChIKey
XFIZJENETBUYNB-UHFFFAOYSA-N
SMILES String
C(N=C(N)NC#N)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.
1-Cyano-2-(hydroxymethyl)guanidine is identified by CAS 13101-26-3, with molecular formula C3H6N4O, molecular weight 114.11, InChIKey XFIZJENETBUYNB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
8
H-bond acceptors
5
H-bond donors
4
Rotatable bonds
1
Ring count
0
Aromatic rings
0
Topological polar surface area
94.43 Ų
Computed LogP
-1.68
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
1-Cyano-2-(hydroxymethyl)guanidine (CAS 13101-26-3) is maintained as a commercial cas reference with formula C3H6N4O, molecular weight 114. 11 g/mol, PubChem CID 83137.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.