Benzonitrile, 4-(bis(2-chloroethyl)amino)-
TL;DR: Benzonitrile, 4-(bis(2-chloroethyl)amino)- (CAS 71601-35-9) is a chemical compound with molecular formula C11H12Cl2N2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]benzonitrile
Also Known As: 4-[bis(2-chloroethyl)amino]benzonitrile, 4-(Bis(2-chloroethyl)amino)benzonitrile, Benzonitrile, 4-(bis(2-chloroethyl)amino)-, Benzonitrile, 4-[bis(2-chloroethyl)amino]-, 4-[N,N-bis(2-chloroethyl)amino]-benzonitrile
| Molecular Formula | C11H12Cl2N2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03775 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 71601-35-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N(CCCl)CCCl |
| InChIKey | VDPIEHNUNDVINZ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(bis(2-chloroethyl)amino)- (CAS 71601-35-9), with molecular formula C11H12Cl2N2 and molecular weight 242.04 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(bis(2-chloroethyl)amino)-
Property Insights of Benzonitrile, 4-(bis(2-chloroethyl)amino)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(bis(2-chloroethyl)amino)-. With a topological polar surface area (TPSA) of 27.0 Ų, Benzonitrile, 4-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(bis(2-chloroethyl)amino)- has 0 hydrogen bond donor(s) and 2 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 Benzonitrile, 4-(bis(2-chloroethyl)amino)-?
The CAS number of Benzonitrile, 4-(bis(2-chloroethyl)amino)- is 71601-35-9.
What is the molecular formula of Benzonitrile, 4-(bis(2-chloroethyl)amino)-?
The molecular formula of Benzonitrile, 4-(bis(2-chloroethyl)amino)- is C11H12Cl2N2.
What is the molecular weight of Benzonitrile, 4-(bis(2-chloroethyl)amino)-?
The molecular weight of Benzonitrile, 4-(bis(2-chloroethyl)amino)- is 242.04 g/mol.
Where can I buy Benzonitrile, 4-(bis(2-chloroethyl)amino)-?
You can request a quote for Benzonitrile, 4-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.