N~1~-benzyl-4-nitro-1,2-benzenediamine
TL;DR: N~1~-benzyl-4-nitro-1,2-benzenediamine (CAS 66108-86-9) 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-benzyl-4-nitrobenzene-1,2-diamine
Also Known As: N~1~-benzyl-4-nitro-1,2-benzenediamine, 1-N-benzyl-4-nitrobenzene-1,2-diamine, benzylnitrobenzenediamine, (2-amino-4-nitrophenyl)benzylamine, N1-Benzyl-4-nitro-1,2-benzenediamine
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 2.7891 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 555.4177 |
Chemical Identifiers
| CAS Number | 66108-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])N |
Product Overview
N~1~-benzyl-4-nitro-1,2-benzenediamine (CAS 66108-86-9), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 1-N-benzyl-4-nitrobenzene-1,2-diamine.
Chemical Property Profile of N~1~-benzyl-4-nitro-1,2-benzenediamine
Property Insights of N~1~-benzyl-4-nitro-1,2-benzenediamine
The XLogP value of 2.7891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-benzyl-4-nitro-1,2-benzenediamine. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-benzyl-4-nitro-1,2-benzenediamine. Following Lipinski's Rule of Five, N~1~-benzyl-4-nitro-1,2-benzenediamine 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~-benzyl-4-nitro-1,2-benzenediamine?
The CAS number of N~1~-benzyl-4-nitro-1,2-benzenediamine is 66108-86-9.
What is the molecular formula of N~1~-benzyl-4-nitro-1,2-benzenediamine?
The molecular formula of N~1~-benzyl-4-nitro-1,2-benzenediamine is C13H13N3O2.
What is the molecular weight of N~1~-benzyl-4-nitro-1,2-benzenediamine?
The molecular weight of N~1~-benzyl-4-nitro-1,2-benzenediamine is 243.10 g/mol.
Where can I buy N~1~-benzyl-4-nitro-1,2-benzenediamine?
You can request a quote for N~1~-benzyl-4-nitro-1,2-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-benzyl-4-nitro-1,2-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-benzyl-4-nitro-1,2-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.