N-Phenyl-p-phenylenediamine
TL;DR: N-Phenyl-p-phenylenediamine (CAS 101-54-2) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-phenylbenzene-1,4-diamine
Also Known As: 4-Aminodiphenylamine, N-Phenyl-p-phenylenediamine, p-Anilinoaniline, Azosalt R, Semidine
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.10005 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10005 Da |
| Heavy Atoms | 14 |
| Complexity | 156.0 |
| Melting Point | 163 to 167 °F (NTP, 1992) |
| Boiling Point | 669 °F at 760 mmHg (NTP, 1992) |
| Density | 1.15 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 380 °F (NTP, 1992) |
| Vapor Pressure | 0.0000121 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)N |
| InChIKey | ATGUVEKSASEFFO-UHFFFAOYSA-N |
Product Description
Applications: N-Phenyl-p-phenylenediamine is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Phenyl-p-phenylenediamine (CAS 101-54-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
N-Phenyl-p-phenylenediamine is a pharmaceutical intermediate identified by CAS number 101-54-2 and the molecular formula C12H12N2 and a molecular weight of 184.1 g/mol. Physically, the compound has a density of 1.15 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as 4-Aminodiphenylamine and N-Phenyl-p-phenylenediamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-Phenyl-p-phenylenediamine
Property Insights of N-Phenyl-p-phenylenediamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenyl-p-phenylenediamine. With a topological polar surface area (TPSA) of 38.1 Ų, N-Phenyl-p-phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenyl-p-phenylenediamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Phenyl-p-phenylenediamine?
The CAS number of N-Phenyl-p-phenylenediamine is 101-54-2.
What is the molecular formula of N-Phenyl-p-phenylenediamine?
The molecular formula of N-Phenyl-p-phenylenediamine is C12H12N2.
What is the molecular weight of N-Phenyl-p-phenylenediamine?
The molecular weight of N-Phenyl-p-phenylenediamine is 184.10005 g/mol.
What are the applications of N-Phenyl-p-phenylenediamine?
N-Phenyl-p-phenylenediamine is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Phenyl-p-phenylenediamine...
Where can I buy N-Phenyl-p-phenylenediamine?
You can request a quote for N-Phenyl-p-phenylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Phenyl-p-phenylenediamine?
Yes, CoreyChem provides custom synthesis services for N-Phenyl-p-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.