N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride
TL;DR: N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride (CAS 18628-37-0) is a chemical compound with molecular formula C12H17BrCl3NO and molecular weight 374.9559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride, 2-Methoxy-5-bromobenzyl-bis-(beta-chloroethyl) amine hydrochlorid2E, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-BROMO-6-METHOXY-, HYDROCHLORIDE, (5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride
Technical Specifications
| Molecular Formula | C12H17BrCl3NO |
| Molecular Weight | 374.9559 g/mol |
| XLogP | -0.68 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.9559 Da |
| Heavy Atoms | 18 |
| Complexity | 203.0 |
| SMILES | COC1=C(C=C(C=C1)Br)C[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | TZJYOZCTYCBVCE-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride
Property Insights of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride
The XLogP value of -0.68 indicates that N,N-Bis(2-chloroethyl)-3-bromo-6-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-bromo-6-methoxybenzylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-3-bromo-6-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-bromo-6-methoxybenzylamine hydrochloride?
The CAS number of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride is 18628-37-0.
What is the molecular formula of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride?
The molecular formula of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride is C12H17BrCl3NO.
What is the molecular weight of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride?
The molecular weight of N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride is 374.9559 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride?
You can request a quote for N,N-Bis(2-chloroethyl)-3-bromo-6-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-bromo-6-methoxybenzylamine hydrochloride?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.