N-(Butan-2-yl)-4-nitroaniline
TL;DR: N-(Butan-2-yl)-4-nitroaniline (CAS 4138-37-8) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-4-nitroaniline
Also Known As: N-(butan-2-yl)-4-nitroaniline, n-(Sec-butyl)-4-nitroaniline, N-sec-Butyl-4-nitroaniline, N-(s-butyl)-4-nitroaniline, N-butan-2-yl-4-nitroaniline
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4138-37-8 |
|---|---|
| SMILES | CCC(C)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QOBVERLJVQAUPG-UHFFFAOYSA-N |
Product Overview
N-(Butan-2-yl)-4-nitroaniline (CAS 4138-37-8), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-butan-2-yl-4-nitroaniline.
Chemical Property Profile of N-(Butan-2-yl)-4-nitroaniline
Property Insights of N-(Butan-2-yl)-4-nitroaniline
The XLogP value of 3.1 indicates that N-(Butan-2-yl)-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(Butan-2-yl)-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Butan-2-yl)-4-nitroaniline has 1 hydrogen bond donor(s) and 3 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-(Butan-2-yl)-4-nitroaniline?
The CAS number of N-(Butan-2-yl)-4-nitroaniline is 4138-37-8.
What is the molecular formula of N-(Butan-2-yl)-4-nitroaniline?
The molecular formula of N-(Butan-2-yl)-4-nitroaniline is C10H14N2O2.
What is the molecular weight of N-(Butan-2-yl)-4-nitroaniline?
The molecular weight of N-(Butan-2-yl)-4-nitroaniline is 194.11 g/mol.
Where can I buy N-(Butan-2-yl)-4-nitroaniline?
You can request a quote for N-(Butan-2-yl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Butan-2-yl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(Butan-2-yl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.