Diphenylguanidine monohydrobromideProduct ingredient for Diphenylguanidine
- Name
- Diphenylguanidine monohydrobromide
- Drug Entry
- Diphenylguanidine
Diphenylguanidine is a complexing agent used in the detection of metals and organic bases and used as an accelerator in the vulcanization of rubber. It is found in some rubber products. It is also a dermatological sensitizer and allergen.
Sensitivity to diphenylguanidine may be identified with a clinical patch test.
- Accession Number
- DBSALT002900
- Structure
Structure for Diphenylguanidine monohydrobromide (DBSALT002900)
- Synonyms
- N,N'-Diphenylguanidine monohydrobromide
- UNII
- Not Available
- CAS Number
- 93982-96-8
- Weight
- Average: 292.18
Monoisotopic: 291.03711 - Chemical Formula
- C13H14BrN3
- InChI Key
- DSESGJJGBBAHNW-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
- IUPAC Name
- N,N'-diphenylguanidine hydrobromide
- SMILES
- Br.N=C(NC1=CC=CC=C1)NC1=CC=CC=C1
- External Links
- ChemSpider
- 2289490
- ChEMBL
- CHEMBL556117
- Predicted Properties
Property Value Source Water Solubility 0.377 mg/mL ALOGPS logP 2.67 ALOGPS logP 3.13 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) 9.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 47.91 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 78.52 m3·mol-1 Chemaxon Polarizability 22.9 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon