Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate
TL;DR: Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate (CAS 69226-81-9) is a chemical compound with molecular formula C16H34Br2Cl4N2O3 and molecular weight 599.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[bis(2-chloroethyl)amino]butan-2-one);hydrate;dihydrobromide
Also Known As: C8H15Cl2NO.BrH.1/2H2O, 2-Acetylethyl-bis(2-chloroethyl)amine hydrobromide hemihydrate, C8-H15-Cl2-N-O.Br-H.1/2H2-O, Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate, 4-[bis(2-chloroethyl)amino]butan-2-one hydrate dihydrobromide
| Molecular Formula | C16H34Br2Cl4N2O3 |
|---|---|
| Molecular Weight | 599.97 g/mol |
| LogP | 3.8213 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 599.96906 |
| Heavy Atoms | 27 |
| Complexity | 292.0405 |
Chemical Identifiers
| CAS Number | 69226-81-9 |
|---|---|
| SMILES | CC(=O)CCN(CCCl)CCCl.CC(=O)CCN(CCCl)CCCl.O.Br.Br |
Product Overview
Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate (CAS 69226-81-9), with molecular formula C16H34Br2Cl4N2O3 and molecular weight 599.97 g/mol. IUPAC: bis(4-[bis(2-chloroethyl)amino]butan-2-one);hydrate;dihydrobromide.
Chemical Property Profile of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate
Property Insights of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate
The XLogP value of 3.8213 indicates that Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate. Following Lipinski's Rule of Five, Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate?
The CAS number of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate is 69226-81-9.
What is the molecular formula of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate?
The molecular formula of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate is C16H34Br2Cl4N2O3.
What is the molecular weight of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate?
The molecular weight of Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate is 599.97 g/mol.
Where can I buy Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate?
You can request a quote for Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Triethylamine, 2-acetyl-2'-2''-dichloro-, hydrobromide, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.