N-庚基-N'-苯基-1,4-苯二胺
TL;DR: N-庚基-N'-苯基-1,4-苯二胺 (CAS 3698-81-5) is a chemical compound with molecular formula C19H26N2 and molecular weight 282.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-庚基-N'-苯基-1,4-苯二胺
1-N-heptyl-4-N-phenylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N-heptyl-N'-phenyl-, p-Phenylenediamine, N-heptyl-N-phenyl-, N-Heptyl-N'-phenyl-p-phenylenediamine, n-heptyl-n'-phenyl-1,4-benzenediamine, N-Heptyl-N-phenyl-p-phenylenediamine
| Molecular Formula | C19H26N2 |
|---|---|
| Molecular Weight | 282.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.2096 |
| Heavy Atoms | 21 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 3698-81-5 |
|---|---|
| SMILES | CCCCCCCNC1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | KEQYTZYRIUXZOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-庚基-N'-苯基-1,4-苯二胺 (CAS 3698-81-5), with molecular formula C19H26N2 and molecular weight 282.21 g/mol. IUPAC: 1-N-heptyl-4-N-phenylbenzene-1,4-diamine.
Chemical Property Profile of N-庚基-N'-苯基-1,4-苯二胺
Property Insights of N-庚基-N'-苯基-1,4-苯二胺
The XLogP value of 6.3 indicates that N-庚基-N'-苯基-1,4-苯二胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, N-庚基-N'-苯基-1,4-苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-庚基-N'-苯基-1,4-苯二胺 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-庚基-N'-苯基-1,4-苯二胺?
The CAS number of N-庚基-N'-苯基-1,4-苯二胺 is 3698-81-5.
What is the molecular formula of N-庚基-N'-苯基-1,4-苯二胺?
The molecular formula of N-庚基-N'-苯基-1,4-苯二胺 is C19H26N2.
What is the molecular weight of N-庚基-N'-苯基-1,4-苯二胺?
The molecular weight of N-庚基-N'-苯基-1,4-苯二胺 is 282.21 g/mol.
Where can I buy N-庚基-N'-苯基-1,4-苯二胺?
You can request a quote for N-庚基-N'-苯基-1,4-苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-庚基-N'-苯基-1,4-苯二胺?
Yes, KEHONG BIO provides custom synthesis services for N-庚基-N'-苯基-1,4-苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.