4(N)-(2-chloroethyl-N-methylamino)benzylamine
TL;DR: 4(N)-(2-chloroethyl-N-methylamino)benzylamine (CAS 41288-23-7) is a chemical compound with molecular formula C10H15ClN2 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)-N-(2-chloroethyl)-N-methylaniline
Also Known As: 4-Cemabzam, 4(N)-(2-Chloroethyl-N-methylamino)benzylamine, Benzenemethanamine, 4-((2-chloroethyl)methylamino)-, 4-(aminomethyl)-N-(2-chloroethyl)-N-methylaniline, 4-[N-(2-chloroethyl)-N-methylamino]benzylamine
| Molecular Formula | C10H15ClN2 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.09238 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 41288-23-7 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)CN |
| InChIKey | WDWWAFPIBHOUQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(N)-(2-chloroethyl-N-methylamino)benzylamine (CAS 41288-23-7), with molecular formula C10H15ClN2 and molecular weight 198.09 g/mol. IUPAC: 4-(aminomethyl)-N-(2-chloroethyl)-N-methylaniline.
Chemical Property Profile of 4(N)-(2-chloroethyl-N-methylamino)benzylamine
Property Insights of 4(N)-(2-chloroethyl-N-methylamino)benzylamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(N)-(2-chloroethyl-N-methylamino)benzylamine. With a topological polar surface area (TPSA) of 29.3 Ų, 4(N)-(2-chloroethyl-N-methylamino)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(N)-(2-chloroethyl-N-methylamino)benzylamine has 1 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 4(N)-(2-chloroethyl-N-methylamino)benzylamine?
The CAS number of 4(N)-(2-chloroethyl-N-methylamino)benzylamine is 41288-23-7.
What is the molecular formula of 4(N)-(2-chloroethyl-N-methylamino)benzylamine?
The molecular formula of 4(N)-(2-chloroethyl-N-methylamino)benzylamine is C10H15ClN2.
What is the molecular weight of 4(N)-(2-chloroethyl-N-methylamino)benzylamine?
The molecular weight of 4(N)-(2-chloroethyl-N-methylamino)benzylamine is 198.09 g/mol.
Where can I buy 4(N)-(2-chloroethyl-N-methylamino)benzylamine?
You can request a quote for 4(N)-(2-chloroethyl-N-methylamino)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(N)-(2-chloroethyl-N-methylamino)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 4(N)-(2-chloroethyl-N-methylamino)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.