Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride
TL;DR: Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride (CAS 102395-97-1) is a chemical compound with molecular formula C11H18Cl4N2 and molecular weight 318.0224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[bis(2-chloroethyl)aminomethyl]aniline;dihydrochloride
Also Known As: Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride, Toluene-alpha,4-diamine, N(sup alpha),N(sup alpha)-bis(2-chloroethyl)-, dihydrochloride, N(sup alpha),N(sup alpha)-Bis(2-chloroethyl)toluene-alpha,4-diamine dihydrochloride, 4-[bis(2-chloroethyl)aminomethyl]aniline dihydrochloride, 4-[bis(2-chloroethyl)aminomethyl]aniline,dihydrochloride
Technical Specifications
| Molecular Formula | C11H18Cl4N2 |
| Molecular Weight | 318.0224 g/mol |
| XLogP | 3.392 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0224 Da |
| Heavy Atoms | 17 |
| Complexity | 153.0 |
| SMILES | C1=CC(=CC=C1CN(CCCl)CCCl)N.Cl.Cl |
| InChIKey | KGIIPJSNBLATAL-UHFFFAOYSA-N |
Chemical Property Profile of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride
Property Insights of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride
The XLogP value of 3.392 indicates that Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride?
The CAS number of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride is 102395-97-1.
What is the molecular formula of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride?
The molecular formula of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride is C11H18Cl4N2.
What is the molecular weight of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride?
The molecular weight of Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride is 318.0224 g/mol.
Where can I buy Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride?
You can request a quote for Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.