1,3-diphenylguanidine hydrobromide

• ChemBase ID: 287372
• Molecular Formular: C13H14BrN3
• Molecular Mass: 292.17436
• Monoisotopic Mass: 291.03710946
• SMILES: N=C(Nc1ccccc1)Nc1ccccc1.Br
• Canonical SMILES: N=C(Nc1ccccc1)Nc1ccccc1.Br
• 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
• InChIKey: DSESGJJGBBAHNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenylguanidine hydrobromide
• IUPAC Traditional name: N,N'-diphenylguanidine hydrobromide
• Synonyms: 1,3-Diphenylguanidine hydrobromide

Database IDs

• CAS Number: 93982-96-8
• MDL Number: MFCD04038163
• PubChem SID: 180672903
• PubChem CID: 3023220

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.7302939
• LogD (pH = 7.4): 1.2790502
• Log P: 3.1313167
• Molar Refractivity: 78.5248 cm^3
• Polarizability: 24.788395 Å^3
• Polar Surface Area: 47.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%