Nitroaniline
TL;DR: Nitroaniline (CAS 29757-24-2) is a chemical compound with molecular formula C19H22N6O6 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1-methyl-4-nitrobenzene;2-nitroaniline;3-nitroaniline
Also Known As: NITROANILINE, Nitroanilines, Benzenamine, ar-nitro-, SID:121147416, azane; 1-methyl-4-nitrobenzene; 2-nitroaniline; 3-nitroaniline
| Molecular Formula | C19H22N6O6 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 4.42 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.1601 |
| Heavy Atoms | 31 |
| Complexity | 386.0 |
| Flash Point | 309 to 198.9 °C (NFPA, 2010) |
Chemical Identifiers
| CAS Number | 29757-24-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)N)[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])N.N |
| InChIKey | JPSBDEKDVCCMJP-UHFFFAOYSA-N |
Product Overview
Nitroaniline (CAS 29757-24-2), with molecular formula C19H22N6O6 and molecular weight 430.16 g/mol. IUPAC: azane;1-methyl-4-nitrobenzene;2-nitroaniline;3-nitroaniline.
Chemical Property Profile of Nitroaniline
Property Insights of Nitroaniline
The XLogP value of 4.42 indicates that Nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Nitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitroaniline has 3 hydrogen bond donor(s) and 9 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 Nitroaniline?
The CAS number of Nitroaniline is 29757-24-2.
What is the molecular formula of Nitroaniline?
The molecular formula of Nitroaniline is C19H22N6O6.
What is the molecular weight of Nitroaniline?
The molecular weight of Nitroaniline is 430.16 g/mol.
Where can I buy Nitroaniline?
You can request a quote for Nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for Nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.