(2,4-Dinitrophenyl)hexylamine
TL;DR: (2,4-Dinitrophenyl)hexylamine (CAS 52790-65-5) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexyl-2,4-dinitroaniline
Also Known As: N-hexyl-2,4-dinitroaniline, N-(2,4-dinitrophenyl)hexylamine, (2,4-dinitrophenyl)hexylamine
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 3.4952 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 462.28775 |
Chemical Identifiers
| CAS Number | 52790-65-5 |
|---|---|
| SMILES | CCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(2,4-Dinitrophenyl)hexylamine (CAS 52790-65-5), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: N-hexyl-2,4-dinitroaniline.
Chemical Property Profile of (2,4-Dinitrophenyl)hexylamine
Property Insights of (2,4-Dinitrophenyl)hexylamine
The XLogP value of 3.4952 indicates that (2,4-Dinitrophenyl)hexylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-Dinitrophenyl)hexylamine. Following Lipinski's Rule of Five, (2,4-Dinitrophenyl)hexylamine has 1 hydrogen bond donor(s) and 5 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 (2,4-Dinitrophenyl)hexylamine?
The CAS number of (2,4-Dinitrophenyl)hexylamine is 52790-65-5.
What is the molecular formula of (2,4-Dinitrophenyl)hexylamine?
The molecular formula of (2,4-Dinitrophenyl)hexylamine is C12H17N3O4.
What is the molecular weight of (2,4-Dinitrophenyl)hexylamine?
The molecular weight of (2,4-Dinitrophenyl)hexylamine is 267.12 g/mol.
Where can I buy (2,4-Dinitrophenyl)hexylamine?
You can request a quote for (2,4-Dinitrophenyl)hexylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dinitrophenyl)hexylamine?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dinitrophenyl)hexylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.