N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride
TL;DR: N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride (CAS 23426-14-4) is a chemical compound with molecular formula C12H17Cl4NO and molecular weight 331.00644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride, 4-Methoxy-5-chlorobenzyl-bis-(beta-chloroethyl) amine hydrochloride, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-CHLORO-4-METHOXY-, HYDROCHLORIDE, bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium chloride, bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium;chloride
Technical Specifications
| Molecular Formula | C12H17Cl4NO |
| Molecular Weight | 331.00644 g/mol |
| XLogP | -0.78 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.00348 Da |
| Heavy Atoms | 18 |
| Complexity | 200.0 |
| SMILES | COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)Cl.[Cl-] |
| InChIKey | MLRCMDAXWPGTRO-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride
Property Insights of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride
The XLogP value of -0.78 indicates that N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride 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
What is the CAS number of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride?
The CAS number of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride is 23426-14-4.
What is the molecular formula of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride?
The molecular formula of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride is C12H17Cl4NO.
What is the molecular weight of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride?
The molecular weight of N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride is 331.00644 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride?
You can request a quote for N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.