2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine
TL;DR: 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine (CAS 63274-96-4) is a chemical compound with molecular formula C4H5Cl2N5O8 and molecular weight 320.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine
Also Known As: Bis-(2-chlor-2,2-dinitro-ethyl)-amin, bis(2-chloro-2,2-dinitroethyl)amine, 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine, 2-chloro-N-(2-chloro-2,2-dinitro-ethyl)-2,2-dinitro-ethanamine, N1-(2-chloro-2,2-dinitroethyl)-2-chloro-2,2-dinitroethan-1-amine
| Molecular Formula | C4H5Cl2N5O8 |
|---|---|
| Molecular Weight | 320.95 g/mol |
| LogP | -0.532 |
| Topological Polar Surface Area | 184.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.9515 |
| Heavy Atoms | 19 |
| Complexity | 361.36237 |
Chemical Identifiers
| CAS Number | 63274-96-4 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])Cl)NCC([N+](=O)[O-])([N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine (CAS 63274-96-4), with molecular formula C4H5Cl2N5O8 and molecular weight 320.95 g/mol. IUPAC: 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine.
Chemical Property Profile of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine
Property Insights of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine
The XLogP value of -0.532 indicates that 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.59 Ų indicates high polarity, suggesting 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine has 1 hydrogen bond donor(s) and 9 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 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine?
The CAS number of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine is 63274-96-4.
What is the molecular formula of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine?
The molecular formula of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine is C4H5Cl2N5O8.
What is the molecular weight of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine?
The molecular weight of 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine is 320.95 g/mol.
Where can I buy 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine?
You can request a quote for 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-chloro-2,2-dinitroethyl)-2,2-dinitroethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.