1,3-ditolylguanidine

Ligand id: 6684

Name: 1,3-ditolylguanidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 50.41
Molecular weight 239.14
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,2-bis(2-methylphenyl)guanidine
Synonyms
1,3-Di-o-tolylguanidine | Di-o-tolylguanidine | DOTG
Database Links
CAS Registry No. 97-39-2 (source: Scifinder)
ChEMBL Ligand CHEMBL282433
GtoPdb PubChem SID 178103296
PubChem CID 7333
Search Google for chemical match using the InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OPNUROKCUBTKLF
Search UniChem for chemical match using the InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OPNUROKCUBTKLF
Wikipedia Ditolylguanidine