4-Amino-3-nitro-6-isopropylaniline
TL;DR: 4-Amino-3-nitro-6-isopropylaniline (CAS 82856-97-1) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-propan-2-ylbenzene-1,4-diamine
Also Known As: 4-Amino-3-nitro-6-isopropylaniline, 2-nitro-5-propan-2-ylbenzene-1,4-diamine, 1,4-Benzenediamine, 2-(1-methylethyl)-5-nitro-, 2-nitro-5-(propan-2-yl)benzene-1,4-diamine, 2-(1-Methylethyl)-5-nitro-1,4-benzenediamine
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 1.8826 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 374.56497 |
Chemical Identifiers
| CAS Number | 82856-97-1 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1N)[N+](=O)[O-])N |
Product Overview
4-Amino-3-nitro-6-isopropylaniline (CAS 82856-97-1), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 2-nitro-5-propan-2-ylbenzene-1,4-diamine.
Chemical Property Profile of 4-Amino-3-nitro-6-isopropylaniline
Property Insights of 4-Amino-3-nitro-6-isopropylaniline
The XLogP value of 1.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-nitro-6-isopropylaniline. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-nitro-6-isopropylaniline. Following Lipinski's Rule of Five, 4-Amino-3-nitro-6-isopropylaniline 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 4-Amino-3-nitro-6-isopropylaniline?
The CAS number of 4-Amino-3-nitro-6-isopropylaniline is 82856-97-1.
What is the molecular formula of 4-Amino-3-nitro-6-isopropylaniline?
The molecular formula of 4-Amino-3-nitro-6-isopropylaniline is C9H13N3O2.
What is the molecular weight of 4-Amino-3-nitro-6-isopropylaniline?
The molecular weight of 4-Amino-3-nitro-6-isopropylaniline is 195.10 g/mol.
Where can I buy 4-Amino-3-nitro-6-isopropylaniline?
You can request a quote for 4-Amino-3-nitro-6-isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-nitro-6-isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-nitro-6-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.