N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine
TL;DR: N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine (CAS 80104-77-4) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(3-methylphenyl)-4-nitrobenzene-1,2-diamine
Also Known As: N1-(3-Methylphenyl)-4-nitrobenzene-1,2-diamine, N(1)-(3-Methylphenyl)-4-nitrobenzene-1,2-diamine, N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine, 1-N-(3-methylphenyl)-4-nitrobenzene-1,2-diamine, 4-Nitro-N1-(m-tolyl)benzene-1,2-diamine
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 3.22902 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 596.5403 |
Chemical Identifiers
| CAS Number | 80104-77-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N |
Product Overview
N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine (CAS 80104-77-4), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 1-N-(3-methylphenyl)-4-nitrobenzene-1,2-diamine.
Chemical Property Profile of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine
Property Insights of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine
The XLogP value of 3.22902 indicates that N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine. Following Lipinski's Rule of Five, N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine has 2 hydrogen bond donor(s) and 4 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 N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine?
The CAS number of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine is 80104-77-4.
What is the molecular formula of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine?
The molecular formula of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine is C13H13N3O2.
What is the molecular weight of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine?
The molecular weight of N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine is 243.10 g/mol.
Where can I buy N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine?
You can request a quote for N~1~-(3-methylphenyl)-4-nitrobenzene-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 N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(3-methylphenyl)-4-nitrobenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.