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Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-
TL;DR: Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- (CAS 59414-48-1) is a chemical compound with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1-(4-chlorophenyl)methanimine
Also Known As: Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-, N-(2-chloroethyl)-1-(4-chlorophenyl)methanimine, (E)-N-(2-Chloroethyl)-1-(4-chlorophenyl)methanimine, ETHANAMINE,2-CHLORO-N-[(4-CHLOROPHENYL)METHYLENE]-
| Molecular Formula | C9H9Cl2N |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0112 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 59414-48-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NCCCl)Cl |
| InChIKey | VZVWQYUYEHMBOH-UHFFFAOYSA-N |
Product Overview
Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- (CAS 59414-48-1), with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol. IUPAC: N-(2-chloroethyl)-1-(4-chlorophenyl)methanimine.
Chemical Property Profile of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-
Property Insights of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-. With a topological polar surface area (TPSA) of 12.4 Ų, Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- 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 Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-?
The CAS number of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- is 59414-48-1.
What is the molecular formula of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-?
The molecular formula of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- is C9H9Cl2N.
What is the molecular weight of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-?
The molecular weight of Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- is 201.01 g/mol.
Where can I buy Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-?
You can request a quote for Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.