1,2-Diamino-3-(4-chlorophenyl)propane
TL;DR: 1,2-Diamino-3-(4-chlorophenyl)propane (CAS 104907-20-2) is a chemical compound with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)propane-1,2-diamine
Also Known As: 3-(4-chlorophenyl)propane-1,2-diamine, 1,2-diamino(4-chlorobenzyl)ethane, 1-(4-Chlorobenzyl)-1,2-ethanediamine, 1,2-Diamino-3-(4-chlorophenyl)propane, J1.925.511E
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07672 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 104907-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN)N)Cl |
| InChIKey | DXJPJHDQAWNQLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diamino-3-(4-chlorophenyl)propane (CAS 104907-20-2), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: 3-(4-chlorophenyl)propane-1,2-diamine.
Chemical Property Profile of 1,2-Diamino-3-(4-chlorophenyl)propane
Property Insights of 1,2-Diamino-3-(4-chlorophenyl)propane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diamino-3-(4-chlorophenyl)propane. With a topological polar surface area (TPSA) of 52.0 Ų, 1,2-Diamino-3-(4-chlorophenyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diamino-3-(4-chlorophenyl)propane 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 1,2-Diamino-3-(4-chlorophenyl)propane?
The CAS number of 1,2-Diamino-3-(4-chlorophenyl)propane is 104907-20-2.
What is the molecular formula of 1,2-Diamino-3-(4-chlorophenyl)propane?
The molecular formula of 1,2-Diamino-3-(4-chlorophenyl)propane is C9H13ClN2.
What is the molecular weight of 1,2-Diamino-3-(4-chlorophenyl)propane?
The molecular weight of 1,2-Diamino-3-(4-chlorophenyl)propane is 184.08 g/mol.
Where can I buy 1,2-Diamino-3-(4-chlorophenyl)propane?
You can request a quote for 1,2-Diamino-3-(4-chlorophenyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diamino-3-(4-chlorophenyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diamino-3-(4-chlorophenyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.