1,3-ditolylguanidine   Click here for help

GtoPdb Ligand ID: 6684

Synonyms: 1,3-Di-o-tolylguanidine | Di-o-tolylguanidine | DOTG
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 50.41
Molecular weight 239.14
XLogP 3.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=Nc1ccccc1C)Nc1ccccc1C
Isomeric SMILES NC(=Nc1ccccc1C)Nc1ccccc1C
InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChI Key OPNUROKCUBTKLF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,2-bis(2-methylphenyl)guanidine
Synonyms Click here for help
1,3-Di-o-tolylguanidine | Di-o-tolylguanidine | DOTG
Database Links Click here for help
CAS Registry No. 97-39-2 (source: Scifinder)
ChEMBL Ligand CHEMBL282433
GtoPdb PubChem SID 178103296
PubChem CID 7333
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Wikipedia Ditolylguanidine

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Tocris
DTG
Cat. No. 0841