4-tert-Butyl-N,N-bis(2-chloroethyl)aniline
TL;DR: 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline (CAS 64977-11-3) is a chemical compound with molecular formula C14H21Cl2N and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N,N-bis(2-chloroethyl)aniline
Also Known As: 4-tert-butyl-N,N-bis(2-chloroethyl)aniline, (p-Ethoxyphenyl)-bis-(2-chlorethyl)-amin, Benzenamine,N,N-bis(2-chloroethyl)-4-(1,1-dimethylethyl)-, RefChem:296411
| Molecular Formula | C14H21Cl2N |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1051 |
| Heavy Atoms | 17 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 64977-11-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | KWUGJGDAMLKTDL-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-N,N-bis(2-chloroethyl)aniline (CAS 64977-11-3), with molecular formula C14H21Cl2N and molecular weight 273.11 g/mol. IUPAC: 4-tert-butyl-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline
Property Insights of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline
The XLogP value of 4.6 indicates that 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline has 0 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 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline?
The CAS number of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline is 64977-11-3.
What is the molecular formula of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline?
The molecular formula of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline is C14H21Cl2N.
What is the molecular weight of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline?
The molecular weight of 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline is 273.11 g/mol.
Where can I buy 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline?
You can request a quote for 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-N,N-bis(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.