1,3-Benzenediamine, 4-butoxy-, dihydrochloride
TL;DR: 1,3-Benzenediamine, 4-butoxy-, dihydrochloride (CAS 76486-09-4) is a chemical compound with molecular formula C10H18Cl2N2O and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxybenzene-1,3-diamine;dihydrochloride
Also Known As: 4-Butoxy-1,3-benzenediamine dihydrochloride, 2,4-Diamino-n-butoxybenzene dihydrochloride, m-Phenylenediamine, 4-butoxy-, dihydrochloride, 1,3-Benzenediamine, 4-butoxy-, dihydrochloride, 4-butoxybenzene-1,3-diamine dihydrochloride
| Molecular Formula | C10H18Cl2N2O |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.8735 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07962 |
| Heavy Atoms | 15 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 76486-09-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)N)N.Cl.Cl |
| InChIKey | JDAHCCZHQBMCDQ-UHFFFAOYSA-N |
Product Overview
1,3-Benzenediamine, 4-butoxy-, dihydrochloride (CAS 76486-09-4), with molecular formula C10H18Cl2N2O and molecular weight 252.08 g/mol. IUPAC: 4-butoxybenzene-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride
Property Insights of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride
The XLogP value of 2.8735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 4-butoxy-, dihydrochloride. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, 4-butoxy-, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 4-butoxy-, dihydrochloride has 4 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-, dihydrochloride?
The CAS number of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride is 76486-09-4.
What is the molecular formula of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride?
The molecular formula of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride is C10H18Cl2N2O.
What is the molecular weight of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride?
The molecular weight of 1,3-Benzenediamine, 4-butoxy-, dihydrochloride is 252.08 g/mol.
Where can I buy 1,3-Benzenediamine, 4-butoxy-, dihydrochloride?
You can request a quote for 1,3-Benzenediamine, 4-butoxy-, dihydrochloride 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-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, 4-butoxy-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.