p-Toluidine, N,N-bis(2-chloroethyl)-
TL;DR: p-Toluidine, N,N-bis(2-chloroethyl)- (CAS 1204-68-8) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methylaniline
Also Known As: N,N-Bis(2-chloroethyl)-4-methylaniline, N,N-Bis(2-chloroethyl)-p-toluidine, p-N,N-Di(2-chloroethyl)toluidine, p-Toluidine, N,N-bis(2-chloroethyl)-, N,N-Bis(2-chloroethyl)-4-methylbenzenamine
| Molecular Formula | C11H15Cl2N |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.05815 |
| Heavy Atoms | 14 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 1204-68-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | GDPRJMAJFSDBKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluidine, N,N-bis(2-chloroethyl)- (CAS 1204-68-8), with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methylaniline.
Chemical Property Profile of p-Toluidine, N,N-bis(2-chloroethyl)-
Property Insights of p-Toluidine, N,N-bis(2-chloroethyl)-
The XLogP value of 3.3 indicates that p-Toluidine, N,N-bis(2-chloroethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, p-Toluidine, N,N-bis(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluidine, N,N-bis(2-chloroethyl)- 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 p-Toluidine, N,N-bis(2-chloroethyl)-?
The CAS number of p-Toluidine, N,N-bis(2-chloroethyl)- is 1204-68-8.
What is the molecular formula of p-Toluidine, N,N-bis(2-chloroethyl)-?
The molecular formula of p-Toluidine, N,N-bis(2-chloroethyl)- is C11H15Cl2N.
What is the molecular weight of p-Toluidine, N,N-bis(2-chloroethyl)-?
The molecular weight of p-Toluidine, N,N-bis(2-chloroethyl)- is 231.06 g/mol.
Where can I buy p-Toluidine, N,N-bis(2-chloroethyl)-?
You can request a quote for p-Toluidine, N,N-bis(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluidine, N,N-bis(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluidine, N,N-bis(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.