N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride
TL;DR: N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride (CAS 27057-91-6) is a chemical compound with molecular formula C12H17Cl4NO and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride, 2-Methoxy-5-chlorobenzyl-bis-(beta-chloroethyl) amine hydrochloride, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-CHLORO-6-METHOXY-, HYDROCHLORIDE, bis(2-chloroethyl)-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride
| Molecular Formula | C12H17Cl4NO |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.00348 |
| Heavy Atoms | 18 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 27057-91-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | AJBRFGMTGTVDII-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride (CAS 27057-91-6), with molecular formula C12H17Cl4NO and molecular weight 331.01 g/mol. IUPAC: bis(2-chloroethyl)-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride
Property Insights of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride
The XLogP value of -0.78 indicates that N,N-Bis(2-chloroethyl)-3-chloro-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-chloro-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-chloro-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
Frequently Asked Questions
What is the CAS number of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride?
The CAS number of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride is 27057-91-6.
What is the molecular formula of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride?
The molecular formula of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride is C12H17Cl4NO.
What is the molecular weight of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride?
The molecular weight of N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride is 331.01 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride?
You can request a quote for N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.