N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide
TL;DR: N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide (CAS 100991-86-4) is a chemical compound with molecular formula C10H22Cl2N2O2 and molecular weight 272.10583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(2-chloroethyl)-N,N'-dimethylbutane-1,4-diamine oxide
Also Known As: 4-04-00-01285 (Beilstein Handbook Reference), N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,4-butanediamine N,N'-dioxide, 1,4-BUTANEDIAMINE, N,N'-BIS(2-CHLOROETHYL)-N,N'-DIMETHYL-, N,N'-DIOXIDE, N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide, N,N'-bis(2-chloroethyl)-N,N'-dimethylbutane-1,4-diamine oxide
Technical Specifications
| Molecular Formula | C10H22Cl2N2O2 |
| Molecular Weight | 272.10583 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 36.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 272.10583 Da |
| Heavy Atoms | 16 |
| Complexity | 178.0 |
| SMILES | C[N+](CCCC[N+](C)(CCCl)[O-])(CCCl)[O-] |
| InChIKey | HDWUFYXLEHTFHM-UHFFFAOYSA-N |
Chemical Property Profile of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide
Property Insights of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide. With a topological polar surface area (TPSA) of 36.1 Ų, N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide?
The CAS number of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide is 100991-86-4.
What is the molecular formula of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide?
The molecular formula of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide is C10H22Cl2N2O2.
What is the molecular weight of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide?
The molecular weight of N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide is 272.10583 g/mol.
Where can I buy N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide?
You can request a quote for N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide?
Yes, CoreyChem provides custom synthesis services for N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dimethylbutane-1,4-diamine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.