Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene
TL;DR: Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene (CAS 4213-30-3) is a chemical compound with molecular formula C14H13Cl2N3 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]propanedinitrile
Also Known As: Malononitrile mustard, p-Bis(2-chloroethyl)aminobenzilidine malononitrile, MALONONITRILE, p-(BIS(2-CHLOROETHYL)AMINO)BENZYLIDENE, Malononitrile, (p-(bis(2-chloroethyl)amino)benzylidene)-, p-(Bis-(beta-chloroethyl)-amino)benzylidene malononitrile
| Molecular Formula | C14H13Cl2N3 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.04865 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 4213-30-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)N(CCCl)CCCl |
| InChIKey | GSEISJCBWGWLDH-UHFFFAOYSA-N |
Product Overview
Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene (CAS 4213-30-3), with molecular formula C14H13Cl2N3 and molecular weight 293.05 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene
Property Insights of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene
The XLogP value of 3.3 indicates that Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene has 0 hydrogen bond donor(s) and 3 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 Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene?
The CAS number of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene is 4213-30-3.
What is the molecular formula of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene?
The molecular formula of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene is C14H13Cl2N3.
What is the molecular weight of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene?
The molecular weight of Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene is 293.05 g/mol.
Where can I buy Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene?
You can request a quote for Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.