1,3-Benzenediamine, 4-butoxy-
TL;DR: 1,3-Benzenediamine, 4-butoxy- (CAS 30616-96-7) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxybenzene-1,3-diamine
Also Known As: 4-butoxybenzene-1,3-diamine, 1,3-Benzenediamine, 4-butoxy-, 2,4-diamino-1-n-butoxybenzene
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 30616-96-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)N)N |
| InChIKey | JKJJWNDBJLYICW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, 4-butoxy- (CAS 30616-96-7), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 4-butoxybenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, 4-butoxy-
Property Insights of 1,3-Benzenediamine, 4-butoxy-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 4-butoxy-. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, 4-butoxy-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 4-butoxy- has 2 hydrogen bond donor(s) and 3 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 1,3-Benzenediamine, 4-butoxy-?
The CAS number of 1,3-Benzenediamine, 4-butoxy- is 30616-96-7.
What is the molecular formula of 1,3-Benzenediamine, 4-butoxy-?
The molecular formula of 1,3-Benzenediamine, 4-butoxy- is C10H16N2O.
What is the molecular weight of 1,3-Benzenediamine, 4-butoxy-?
The molecular weight of 1,3-Benzenediamine, 4-butoxy- is 180.13 g/mol.
Where can I buy 1,3-Benzenediamine, 4-butoxy-?
You can request a quote for 1,3-Benzenediamine, 4-butoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, 4-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, 4-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.