Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride
TL;DR: Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride (CAS 97805-02-2) is a chemical compound with molecular formula C6H11Cl3N2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-(cyanomethyl)azanium chloride
Also Known As: (Bis(2-chloroethyl)amino)acetonitrile monohydrochloride, Acetonitrile,(bis(2-chloroethyl)amino)-hcl, ACETONITRILE, (BIS(2-CHLOROETHYL)AMINO)-, MONOHYDROCHLORIDE, bis(2-chloroethyl)-(cyanomethyl)azanium chloride, ACETONITRILE,(BIS(2-CHLOROETHYL)AMINO)- HCL
| Molecular Formula | C6H11Cl3N2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | -3.12 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.99878 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 97805-02-2 |
|---|---|
| SMILES | C(CCl)[NH+](CCCl)CC#N.[Cl-] |
| InChIKey | PTBHDMQRJPPXKL-UHFFFAOYSA-N |
Product Overview
Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride (CAS 97805-02-2), with molecular formula C6H11Cl3N2 and molecular weight 216.00 g/mol. IUPAC: bis(2-chloroethyl)-(cyanomethyl)azanium chloride.
Chemical Property Profile of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride
Property Insights of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride
The XLogP value of -3.12 indicates that Acetonitrile, (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 28.2 Ų, Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride 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 Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride?
The CAS number of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride is 97805-02-2.
What is the molecular formula of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular formula of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride is C6H11Cl3N2.
What is the molecular weight of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular weight of Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride is 216.00 g/mol.
Where can I buy Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride?
You can request a quote for Acetonitrile, (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 Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.