N,N-dimethyl-p-phenylenediamine
TL;DR: N,N-dimethyl-p-phenylenediamine (CAS 99-98-9) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethylbenzene-1,4-diamine
Also Known As: N,N-Dimethyl-p-phenylenediamine, p-Aminodimethylaniline, N,N-Dimethyl-1,4-phenylenediamine, 4-(Dimethylamino)aniline, DMPD
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| Melting Point | 106 to 52.8 °C |
| Boiling Point | 262.2 °C at 760 mmHg |
| Density | 1.036 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 90.6 °C |
| Vapor Pressure | 0.00791 [mmHg] |
Chemical Identifiers
| CAS Number | 99-98-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N |
| InChIKey | BZORFPDSXLZWJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-dimethyl-p-phenylenediamine (CAS 99-98-9), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 4-N,4-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of N,N-dimethyl-p-phenylenediamine
Property Insights of N,N-dimethyl-p-phenylenediamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-p-phenylenediamine. With a topological polar surface area (TPSA) of 29.3 Ų, N,N-dimethyl-p-phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-p-phenylenediamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-dimethyl-p-phenylenediamine?
The CAS number of N,N-dimethyl-p-phenylenediamine is 99-98-9.
What is the molecular formula of N,N-dimethyl-p-phenylenediamine?
The molecular formula of N,N-dimethyl-p-phenylenediamine is C8H12N2.
What is the molecular weight of N,N-dimethyl-p-phenylenediamine?
The molecular weight of N,N-dimethyl-p-phenylenediamine is 136.10 g/mol.
Where can I buy N,N-dimethyl-p-phenylenediamine?
You can request a quote for N,N-dimethyl-p-phenylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-p-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-p-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.