3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline
TL;DR: 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline (CAS 32766-75-9) is a chemical compound with molecular formula C11H14Cl3N and molecular weight 265.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(2-chloroethyl)-4-methylaniline
Also Known As: 3-chloro-n,n-bis(2-chloroethyl)-4-methylaniline, Benzenamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methyl-
| Molecular Formula | C11H14Cl3N |
|---|---|
| Molecular Weight | 265.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0192 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 32766-75-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CCCl)CCCl)Cl |
| InChIKey | NKBVRKXHVBFYRT-UHFFFAOYSA-N |
Product Overview
3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline (CAS 32766-75-9), with molecular formula C11H14Cl3N and molecular weight 265.02 g/mol. IUPAC: 3-chloro-N,N-bis(2-chloroethyl)-4-methylaniline.
Chemical Property Profile of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline
Property Insights of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline
The XLogP value of 4.9 indicates that 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline 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 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline?
The CAS number of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline is 32766-75-9.
What is the molecular formula of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline?
The molecular formula of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline is C11H14Cl3N.
What is the molecular weight of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline?
The molecular weight of 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline is 265.02 g/mol.
Where can I buy 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline?
You can request a quote for 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-n,n-bis(2-chloroethyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.