N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine
TL;DR: N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine (CAS 320406-61-9) is a chemical compound with molecular formula C11H15F3N2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine
Also Known As: N-butyl-4-trifluoromethyl-2-aminoaniline, N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine, 1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine
| Molecular Formula | C11H15F3N2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 3.4996 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.11873 |
| Heavy Atoms | 16 |
| Complexity | 347.57318 |
Chemical Identifiers
| CAS Number | 320406-61-9 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)C(F)(F)F)N |
Product Overview
N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine (CAS 320406-61-9), with molecular formula C11H15F3N2 and molecular weight 232.12 g/mol. IUPAC: 1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine
Property Insights of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine
The XLogP value of 3.4996 indicates that N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.05 Ų, N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine 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-butyl-4-(trifluoromethyl)benzene-1,2-diamine?
The CAS number of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine is 320406-61-9.
What is the molecular formula of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular formula of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine is C11H15F3N2.
What is the molecular weight of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular weight of N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine is 232.12 g/mol.
Where can I buy N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine?
You can request a quote for N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.