Butylamine, N,N-bis(2-chloroethyl)-, N-oxide
TL;DR: Butylamine, N,N-bis(2-chloroethyl)-, N-oxide (CAS 98561-35-4) is a chemical compound with molecular formula C8H17Cl2NO and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)butan-1-amine oxide
Also Known As: N,N-Bis(2-chloroethyl)butylamine N-oxide, Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, N,N-bis(2-chloroethyl)butan-1-amine oxide, 4-04-00-00548 (Beilstein Handbook Reference), N,N-Bis(2-chloroethyl)butan-1-amine N-oxide
| Molecular Formula | C8H17Cl2NO |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 2.5787 |
| Topological Polar Surface Area | 23.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.06873 |
| Heavy Atoms | 12 |
| Complexity | 105.23098 |
Chemical Identifiers
| CAS Number | 98561-35-4 |
|---|---|
| SMILES | CCCC[N+](CCCl)(CCCl)[O-] |
Product Overview
Butylamine, N,N-bis(2-chloroethyl)-, N-oxide (CAS 98561-35-4), with molecular formula C8H17Cl2NO and molecular weight 213.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)butan-1-amine oxide.
Chemical Property Profile of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide
Property Insights of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide
The XLogP value of 2.5787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylamine, N,N-bis(2-chloroethyl)-, N-oxide. With a topological polar surface area (TPSA) of 23.06 Ų, Butylamine, N,N-bis(2-chloroethyl)-, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylamine, N,N-bis(2-chloroethyl)-, N-oxide has 0 hydrogen bond donor(s) and 1 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 Butylamine, N,N-bis(2-chloroethyl)-, N-oxide?
The CAS number of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide is 98561-35-4.
What is the molecular formula of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide?
The molecular formula of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide is C8H17Cl2NO.
What is the molecular weight of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide?
The molecular weight of Butylamine, N,N-bis(2-chloroethyl)-, N-oxide is 213.07 g/mol.
Where can I buy Butylamine, N,N-bis(2-chloroethyl)-, N-oxide?
You can request a quote for Butylamine, N,N-bis(2-chloroethyl)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylamine, N,N-bis(2-chloroethyl)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Butylamine, N,N-bis(2-chloroethyl)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.