Propionitrile, 2,2-(bis(2-chloroethylamino))-
TL;DR: Propionitrile, 2,2-(bis(2-chloroethylamino))- (CAS 63815-37-2) is a chemical compound with molecular formula C7H13Cl2N3 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(2-chloroethylamino)propanenitrile
Also Known As: USAF uctl-958, Propionitrile, 2,2-(bis(2-chloroethylamino))-, beta-(Bis(2-chloroethylamino))propionitrile, 2,2-bis(2-chloroethylamino)propanenitrile, 2,2-Bis[(2-chloroethyl)amino]propanenitrile
| Molecular Formula | C7H13Cl2N3 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 0.88298 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.04866 |
| Heavy Atoms | 12 |
| Complexity | 147.2207 |
Chemical Identifiers
| CAS Number | 63815-37-2 |
|---|---|
| SMILES | CC(C#N)(NCCCl)NCCCl |
Product Overview
Propionitrile, 2,2-(bis(2-chloroethylamino))- (CAS 63815-37-2), with molecular formula C7H13Cl2N3 and molecular weight 209.05 g/mol. IUPAC: 2,2-bis(2-chloroethylamino)propanenitrile.
Chemical Property Profile of Propionitrile, 2,2-(bis(2-chloroethylamino))-
Property Insights of Propionitrile, 2,2-(bis(2-chloroethylamino))-
The XLogP value of 0.88298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionitrile, 2,2-(bis(2-chloroethylamino))-. With a topological polar surface area (TPSA) of 47.85 Ų, Propionitrile, 2,2-(bis(2-chloroethylamino))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionitrile, 2,2-(bis(2-chloroethylamino))- has 2 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 Propionitrile, 2,2-(bis(2-chloroethylamino))-?
The CAS number of Propionitrile, 2,2-(bis(2-chloroethylamino))- is 63815-37-2.
What is the molecular formula of Propionitrile, 2,2-(bis(2-chloroethylamino))-?
The molecular formula of Propionitrile, 2,2-(bis(2-chloroethylamino))- is C7H13Cl2N3.
What is the molecular weight of Propionitrile, 2,2-(bis(2-chloroethylamino))-?
The molecular weight of Propionitrile, 2,2-(bis(2-chloroethylamino))- is 209.05 g/mol.
Where can I buy Propionitrile, 2,2-(bis(2-chloroethylamino))-?
You can request a quote for Propionitrile, 2,2-(bis(2-chloroethylamino))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionitrile, 2,2-(bis(2-chloroethylamino))-?
Yes, KEHONG BIO provides custom synthesis services for Propionitrile, 2,2-(bis(2-chloroethylamino))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.