2-tert-butyl-N-ethylaniline
TL;DR: 2-tert-butyl-N-ethylaniline (CAS 75031-45-7) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-N-ethylaniline
Also Known As: 2-tert-butyl-N-ethylaniline, 2-tert-butyl-N-ethyl-aniline, Aniline, 2-tert-butyl-N-ethyl-, Benzenamine, 2-(1,1-dimethylethyl)-N-ethyl-, 964-849-7
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 75031-45-7 |
|---|---|
| SMILES | CCNC1=CC=CC=C1C(C)(C)C |
| InChIKey | FFEJLRPCIUMIBB-UHFFFAOYSA-N |
Product Overview
2-tert-butyl-N-ethylaniline (CAS 75031-45-7), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 2-tert-butyl-N-ethylaniline.
Chemical Property Profile of 2-tert-butyl-N-ethylaniline
Property Insights of 2-tert-butyl-N-ethylaniline
The XLogP value of 3.9 indicates that 2-tert-butyl-N-ethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 2-tert-butyl-N-ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-N-ethylaniline has 1 hydrogen bond donor(s) and 1 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-tert-butyl-N-ethylaniline?
The CAS number of 2-tert-butyl-N-ethylaniline is 75031-45-7.
What is the molecular formula of 2-tert-butyl-N-ethylaniline?
The molecular formula of 2-tert-butyl-N-ethylaniline is C12H19N.
What is the molecular weight of 2-tert-butyl-N-ethylaniline?
The molecular weight of 2-tert-butyl-N-ethylaniline is 177.15 g/mol.
Where can I buy 2-tert-butyl-N-ethylaniline?
You can request a quote for 2-tert-butyl-N-ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-N-ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-N-ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.