1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-
TL;DR: 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- (CAS 63666-07-9) is a chemical compound with molecular formula C13H11N5O6 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-methyl-2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine
Also Known As: EINECS 264-400-9, 1,2-Benzenediamine, N-methyl-N'-(2,4,6-trinitrophenyl)-, N-Methyl-N'-(2,4,6-trinitrophenyl)benzene-1,2-diamine, 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-, 1-N-methyl-2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine
| Molecular Formula | C13H11N5O6 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 3.1965 |
| Topological Polar Surface Area | 153.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.07092 |
| Heavy Atoms | 24 |
| Complexity | 802.34717 |
Chemical Identifiers
| CAS Number | 63666-07-9 |
|---|---|
| SMILES | CNC1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- (CAS 63666-07-9), with molecular formula C13H11N5O6 and molecular weight 333.07 g/mol. IUPAC: 1-N-methyl-2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine.
Chemical Property Profile of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-
Property Insights of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-
The XLogP value of 3.1965 indicates that 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.48 Ų indicates high polarity, suggesting 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- has 2 hydrogen bond donor(s) and 8 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 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-?
The CAS number of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- is 63666-07-9.
What is the molecular formula of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-?
The molecular formula of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- is C13H11N5O6.
What is the molecular weight of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-?
The molecular weight of 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- is 333.07 g/mol.
Where can I buy 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-?
You can request a quote for 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediamine, N1-methyl-N2-(2,4,6-trinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.