Benzenamine,2-methyl-n-(2-nitroethylidene)-
TL;DR: Benzenamine,2-methyl-n-(2-nitroethylidene)- (CAS 6304-50-3) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-nitroethanimine
Also Known As: N-(2-methylphenyl)-2-nitroethanimine, 2-methyl-n-[(1e)-2-nitroethylidene]aniline, Benzenamine,2-methyl-n-(2-nitroethylidene)-
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 6304-50-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N=CC[N+](=O)[O-] |
| InChIKey | PXINUVSATKLOSK-UHFFFAOYSA-N |
Product Overview
Benzenamine,2-methyl-n-(2-nitroethylidene)- (CAS 6304-50-3), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: N-(2-methylphenyl)-2-nitroethanimine.
Chemical Property Profile of Benzenamine,2-methyl-n-(2-nitroethylidene)-
Property Insights of Benzenamine,2-methyl-n-(2-nitroethylidene)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine,2-methyl-n-(2-nitroethylidene)-. With a topological polar surface area (TPSA) of 58.2 Ų, Benzenamine,2-methyl-n-(2-nitroethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine,2-methyl-n-(2-nitroethylidene)- has 0 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 Benzenamine,2-methyl-n-(2-nitroethylidene)-?
The CAS number of Benzenamine,2-methyl-n-(2-nitroethylidene)- is 6304-50-3.
What is the molecular formula of Benzenamine,2-methyl-n-(2-nitroethylidene)-?
The molecular formula of Benzenamine,2-methyl-n-(2-nitroethylidene)- is C9H10N2O2.
What is the molecular weight of Benzenamine,2-methyl-n-(2-nitroethylidene)-?
The molecular weight of Benzenamine,2-methyl-n-(2-nitroethylidene)- is 178.07 g/mol.
Where can I buy Benzenamine,2-methyl-n-(2-nitroethylidene)-?
You can request a quote for Benzenamine,2-methyl-n-(2-nitroethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine,2-methyl-n-(2-nitroethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine,2-methyl-n-(2-nitroethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.