Diphenylguanidine
TL;DR: Diphenylguanidine (CAS 102-06-7) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-diphenylguanidine
Also Known As: 1,3-Diphenylguanidine, Diphenylguanidine, Vulkazit, Melaniline, Accelerator D
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.11095 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.11095 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| Melting Point | 302 °F (NTP, 1992) |
| Boiling Point | Decomposes >338 °F (NTP, 1992) |
| Density | 1.13 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 388 °F (NTP, 1992) |
| Vapor Pressure | Negligible (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N |
| InChIKey | OWRCNXZUPFZXOS-UHFFFAOYSA-N |
Chemical Property Profile of Diphenylguanidine
Property Insights of Diphenylguanidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenylguanidine. With a topological polar surface area (TPSA) of 50.4 Ų, Diphenylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylguanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diphenylguanidine?
The CAS number of Diphenylguanidine is 102-06-7.
What is the molecular formula of Diphenylguanidine?
The molecular formula of Diphenylguanidine is C13H13N3.
What is the molecular weight of Diphenylguanidine?
The molecular weight of Diphenylguanidine is 211.11095 g/mol.
Where can I buy Diphenylguanidine?
You can request a quote for Diphenylguanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenylguanidine?
Yes, CoreyChem provides custom synthesis services for Diphenylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.