p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride
TL;DR: p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride (CAS 3597-21-5) is a chemical compound with molecular formula C12H18Cl3N and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride
Also Known As: p-Embitol, p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride, bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride, bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium;chloride, 8X-0952
| Molecular Formula | C12H18Cl3N |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | -1.14 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.05048 |
| Heavy Atoms | 16 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 3597-21-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | WLPDMAGPYZTNBF-UHFFFAOYSA-N |
Product Overview
p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride (CAS 3597-21-5), with molecular formula C12H18Cl3N and molecular weight 281.05 g/mol. IUPAC: bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride.
Chemical Property Profile of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride
Property Insights of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride
The XLogP value of -1.14 indicates that p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride has 1 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 p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride?
The CAS number of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride is 3597-21-5.
What is the molecular formula of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride?
The molecular formula of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride is C12H18Cl3N.
What is the molecular weight of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride?
The molecular weight of p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride is 281.05 g/mol.
Where can I buy p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride?
You can request a quote for p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Methyl-di-(2-chloroethyl)-benzylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.