Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-
TL;DR: Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- (CAS 39643-98-6) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2,5-dimethylaniline
Also Known As: Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-, N,N-bis(2-chloroethyl)-2,5-dimethylaniline, Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl, Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl-, N,N-BIS(2-CHLOROETHYL)-2,5-DIMETHYL-ANILINE
| Molecular Formula | C12H17Cl2N |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.0738 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 39643-98-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N(CCCl)CCCl |
| InChIKey | UGSCYBIRSLWJGR-UHFFFAOYSA-N |
Product Overview
Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- (CAS 39643-98-6), with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2,5-dimethylaniline.
Chemical Property Profile of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-
Property Insights of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-
The XLogP value of 4.0 indicates that Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- 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 Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-?
The CAS number of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- is 39643-98-6.
What is the molecular formula of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-?
The molecular formula of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- is C12H17Cl2N.
What is the molecular weight of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-?
The molecular weight of Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- is 245.07 g/mol.
Where can I buy Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-?
You can request a quote for Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.