N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
TL;DR: N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine (CAS 2931-68-2) is a chemical compound with molecular formula C8H9F3N2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
Also Known As: n1-methyl-4-(trifluoromethyl)benzene-1,2-diamine, 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine, 3,4-Diamino-N4-methylbenzotrifluoride, 3-amino-4-methylaminobenzotrifluoride, 1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)-
| Molecular Formula | C8H9F3N2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.07178 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 2931-68-2 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C(F)(F)F)N |
| InChIKey | KWYSQBACVABOFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine (CAS 2931-68-2), with molecular formula C8H9F3N2 and molecular weight 190.07 g/mol. IUPAC: 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
Property Insights of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine. With a topological polar surface area (TPSA) of 38.1 Ų, N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine has 2 hydrogen bond donor(s) and 5 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-Methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The CAS number of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine is 2931-68-2.
What is the molecular formula of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular formula of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine is C8H9F3N2.
What is the molecular weight of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular weight of N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine is 190.07 g/mol.
Where can I buy N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine?
You can request a quote for N1-Methyl-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-Methyl-4-(trifluoromethyl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.