Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride
TL;DR: Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride (CAS 3131-20-2) is a chemical compound with molecular formula C12H18Cl3N3O and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-aminoacetyl)amino]phenyl]-bis(2-chloroethyl)azanium chloride
Also Known As: 2-Amino-4'-(bis(2-chloroethyl)amino)acetanilide hydrochloride, ACETANILIDE, 2-AMINO-4'-(BIS(2-CHLOROETHYL)AMINO)-, MONOHYDROCHLORIDE, [4-[(2-aminoacetyl)amino]phenyl]-bis(2-chloroethyl)azanium chloride, RefChem:315736
| Molecular Formula | C12H18Cl3N3O |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | -2.42 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.05154 |
| Heavy Atoms | 19 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 3131-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CN)[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | ICKWCFIMGINONV-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride (CAS 3131-20-2), with molecular formula C12H18Cl3N3O and molecular weight 325.05 g/mol. IUPAC: [4-[(2-aminoacetyl)amino]phenyl]-bis(2-chloroethyl)azanium chloride.
Chemical Property Profile of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride
Property Insights of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride
The XLogP value of -2.42 indicates that Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride 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
Frequently Asked Questions
What is the CAS number of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride?
The CAS number of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride is 3131-20-2.
What is the molecular formula of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular formula of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride is C12H18Cl3N3O.
What is the molecular weight of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular weight of Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride is 325.05 g/mol.
Where can I buy Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride?
You can request a quote for Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-amino-4'-(bis(2-chloroethyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.