N1-(3-Phenylpropyl)-1,4-benzenediamine
TL;DR: N1-(3-Phenylpropyl)-1,4-benzenediamine (CAS 39563-56-9) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-phenylpropyl)benzene-1,4-diamine
Also Known As: N1-(3-Phenylpropyl)-1,4-benzenediamine, 4-N-(3-phenylpropyl)benzene-1,4-diamine, N~1~-(3-Phenylpropyl)benzene-1,4-diamine
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 39563-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC2=CC=C(C=C2)N |
| InChIKey | HIDJHBWNNRIHRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(3-Phenylpropyl)-1,4-benzenediamine (CAS 39563-56-9), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 4-N-(3-phenylpropyl)benzene-1,4-diamine.
Chemical Property Profile of N1-(3-Phenylpropyl)-1,4-benzenediamine
Property Insights of N1-(3-Phenylpropyl)-1,4-benzenediamine
The XLogP value of 3.5 indicates that N1-(3-Phenylpropyl)-1,4-benzenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, N1-(3-Phenylpropyl)-1,4-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(3-Phenylpropyl)-1,4-benzenediamine 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 N1-(3-Phenylpropyl)-1,4-benzenediamine?
The CAS number of N1-(3-Phenylpropyl)-1,4-benzenediamine is 39563-56-9.
What is the molecular formula of N1-(3-Phenylpropyl)-1,4-benzenediamine?
The molecular formula of N1-(3-Phenylpropyl)-1,4-benzenediamine is C15H18N2.
What is the molecular weight of N1-(3-Phenylpropyl)-1,4-benzenediamine?
The molecular weight of N1-(3-Phenylpropyl)-1,4-benzenediamine is 226.15 g/mol.
Where can I buy N1-(3-Phenylpropyl)-1,4-benzenediamine?
You can request a quote for N1-(3-Phenylpropyl)-1,4-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(3-Phenylpropyl)-1,4-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(3-Phenylpropyl)-1,4-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.