N-(2-Octyl)-p-phenylenediamine
TL;DR: N-(2-Octyl)-p-phenylenediamine (CAS 39563-50-3) is a chemical compound with molecular formula C14H24N2 and molecular weight 220.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-octan-2-ylbenzene-1,4-diamine
Also Known As: N-(2-Octyl)-p-phenylenediamine, N- -1,4-benzenediamine, 1,4-Benzenediamine, N-(1-methylheptyl)-, 4-N-octan-2-ylbenzene-1,4-diamine, 1,4-Benzenediamine,N-(1-methylheptyl)
| Molecular Formula | C14H24N2 |
|---|---|
| Molecular Weight | 220.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.19395 |
| Heavy Atoms | 16 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 39563-50-3 |
|---|---|
| SMILES | CCCCCCC(C)NC1=CC=C(C=C1)N |
| InChIKey | ZEZSYLKJRJYGEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Octyl)-p-phenylenediamine (CAS 39563-50-3), with molecular formula C14H24N2 and molecular weight 220.19 g/mol. IUPAC: 4-N-octan-2-ylbenzene-1,4-diamine.
Chemical Property Profile of N-(2-Octyl)-p-phenylenediamine
Property Insights of N-(2-Octyl)-p-phenylenediamine
The XLogP value of 4.5 indicates that N-(2-Octyl)-p-phenylenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, N-(2-Octyl)-p-phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Octyl)-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
Frequently Asked Questions
What is the CAS number of N-(2-Octyl)-p-phenylenediamine?
The CAS number of N-(2-Octyl)-p-phenylenediamine is 39563-50-3.
What is the molecular formula of N-(2-Octyl)-p-phenylenediamine?
The molecular formula of N-(2-Octyl)-p-phenylenediamine is C14H24N2.
What is the molecular weight of N-(2-Octyl)-p-phenylenediamine?
The molecular weight of N-(2-Octyl)-p-phenylenediamine is 220.19 g/mol.
Where can I buy N-(2-Octyl)-p-phenylenediamine?
You can request a quote for N-(2-Octyl)-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-(2-Octyl)-p-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Octyl)-p-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.