o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride
TL;DR: o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride (CAS 102489-46-3) is a chemical compound with molecular formula C22H33Cl2N3O and molecular weight 425.20007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride
Also Known As: C 5351, 2-(Benzyl(2-(diethylamino)ethyl)amino)-o-acetotoluidide dihydrochloride, o-ACETOTOLUIDIDE, 2-(BENZYL(2-(DIETHYLAMINO)ETHYL)AMINO)-, DIHYDROCHLORIDE, benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride, benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
Technical Specifications
| Molecular Formula | C22H33Cl2N3O |
| Molecular Weight | 425.20007 g/mol |
| XLogP | -5.05 |
| Topological Polar Surface Area (TPSA) | 38.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 425.20007 Da |
| Heavy Atoms | 28 |
| Complexity | 391.0 |
| SMILES | CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C.[Cl-].[Cl-] |
| InChIKey | TUEWSVFVCRPCRM-UHFFFAOYSA-N |
Chemical Property Profile of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride
Property Insights of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride
The XLogP value of -5.05 indicates that o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride?
The CAS number of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride is 102489-46-3.
What is the molecular formula of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride?
The molecular formula of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride is C22H33Cl2N3O.
What is the molecular weight of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride?
The molecular weight of o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride is 425.20007 g/mol.
Where can I buy o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride?
You can request a quote for o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.