4-Amino-3-nitro-5-isopropylaniline
TL;DR: 4-Amino-3-nitro-5-isopropylaniline (CAS 155379-81-0) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-6-propan-2-ylbenzene-1,4-diamine
Also Known As: 4-Amino-3-nitro-5-isopropylaniline, 2-nitro-6-propan-2-ylbenzene-1,4-diamine, 2-nitro-6-(propan-2-yl)benzene-1,4-diamine, 2-Nitro-6-isopropyl-1,4-benzenediamine, 1,4-Benzenediamine,2-(1-methylethyl)-6-nitro-
Technical Specifications
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.10077 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.10077 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CC(C)C1=C(C(=CC(=C1)N)[N+](=O)[O-])N |
| InChIKey | OYBZIBGHYYMOEF-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-nitro-5-isopropylaniline
Property Insights of 4-Amino-3-nitro-5-isopropylaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-nitro-5-isopropylaniline. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-nitro-5-isopropylaniline. Following Lipinski's Rule of Five, 4-Amino-3-nitro-5-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
What is the CAS number of 4-Amino-3-nitro-5-isopropylaniline?
The CAS number of 4-Amino-3-nitro-5-isopropylaniline is 155379-81-0.
What is the molecular formula of 4-Amino-3-nitro-5-isopropylaniline?
The molecular formula of 4-Amino-3-nitro-5-isopropylaniline is C9H13N3O2.
What is the molecular weight of 4-Amino-3-nitro-5-isopropylaniline?
The molecular weight of 4-Amino-3-nitro-5-isopropylaniline is 195.10077 g/mol.
Where can I buy 4-Amino-3-nitro-5-isopropylaniline?
You can request a quote for 4-Amino-3-nitro-5-isopropylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-nitro-5-isopropylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-nitro-5-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.