Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride
TL;DR: Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride (CAS 3590-08-7) is a chemical compound with molecular formula C7H13Cl3N2 and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]propanenitrile;hydrochloride
Also Known As: 3-(Bis(2-chloroethyl)amino)propionitrile monohydrochloride, Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride, 3-[bis(2-chloroethyl)amino]propanenitrile hydrochloride, 3-[bis(2-chloroethyl)amino]propanenitrile,hydrochloride, 3-[Bis(2-chloroethyl)amino]propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C7H13Cl3N2 |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 2.10148 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.01443 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 3590-08-7 |
|---|---|
| SMILES | C(CN(CCCl)CCCl)C#N.Cl |
| InChIKey | GGSXESVLFBZPRY-UHFFFAOYSA-N |
Product Overview
Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride (CAS 3590-08-7), with molecular formula C7H13Cl3N2 and molecular weight 230.01 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride
Property Insights of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride
The XLogP value of 2.10148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride. With a topological polar surface area (TPSA) of 27.0 Ų, Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionitrile, 3-(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 Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride?
The CAS number of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride is 3590-08-7.
What is the molecular formula of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular formula of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride is C7H13Cl3N2.
What is the molecular weight of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride?
The molecular weight of Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride is 230.01 g/mol.
Where can I buy Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride?
You can request a quote for Propionitrile, 3-(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 Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propionitrile, 3-(bis(2-chloroethyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.