4-Butyl-1,2-benzenediamine
TL;DR: 4-Butyl-1,2-benzenediamine (CAS 3663-23-8) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylbenzene-1,2-diamine
Also Known As: 4-Butylbenzene-1,2-diamine, 1,2-Benzenediamine, 4-butyl-, 4-butyl-O-phenylenediamine, 4-n-Butyl-o-phenylenediamine, o-Phenylenediamine, 4-butyl-
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| Vapor Pressure | 0.000174 [mmHg] |
Chemical Identifiers
| CAS Number | 3663-23-8 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)N)N |
| InChIKey | WQEGHHLKDKIWKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butyl-1,2-benzenediamine (CAS 3663-23-8), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 4-butylbenzene-1,2-diamine.
Chemical Property Profile of 4-Butyl-1,2-benzenediamine
Property Insights of 4-Butyl-1,2-benzenediamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-1,2-benzenediamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Butyl-1,2-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-1,2-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 4-Butyl-1,2-benzenediamine?
The CAS number of 4-Butyl-1,2-benzenediamine is 3663-23-8.
What is the molecular formula of 4-Butyl-1,2-benzenediamine?
The molecular formula of 4-Butyl-1,2-benzenediamine is C10H16N2.
What is the molecular weight of 4-Butyl-1,2-benzenediamine?
The molecular weight of 4-Butyl-1,2-benzenediamine is 164.13 g/mol.
Where can I buy 4-Butyl-1,2-benzenediamine?
You can request a quote for 4-Butyl-1,2-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-1,2-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-1,2-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.