Butylamine, N,N-bis(2-chloroethyl)-3-methyl-
TL;DR: Butylamine, N,N-bis(2-chloroethyl)-3-methyl- (CAS 98956-34-4) is a chemical compound with molecular formula C9H19Cl2N and molecular weight 211.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methylbutan-1-amine
Also Known As: Butylamine, N,N-bis(2-chloroethyl)-3-methyl-, N,N-Bis(2-chloroethyl)-3-methylbutylamine, N,N-bis(2-chloroethyl)-3-methylbutan-1-amine, 4-04-00-00697 (Beilstein Handbook Reference), BRN 1741400
| Molecular Formula | C9H19Cl2N |
|---|---|
| Molecular Weight | 211.09 g/mol |
| LogP | 2.8121 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 211.08946 |
| Heavy Atoms | 12 |
| Complexity | 90.52933 |
Chemical Identifiers
| CAS Number | 98956-34-4 |
|---|---|
| SMILES | CC(C)CCN(CCCl)CCCl |
Product Overview
Butylamine, N,N-bis(2-chloroethyl)-3-methyl- (CAS 98956-34-4), with molecular formula C9H19Cl2N and molecular weight 211.09 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methylbutan-1-amine.
Chemical Property Profile of Butylamine, N,N-bis(2-chloroethyl)-3-methyl-
Property Insights of Butylamine, N,N-bis(2-chloroethyl)-3-methyl-
The XLogP value of 2.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylamine, N,N-bis(2-chloroethyl)-3-methyl-. With a topological polar surface area (TPSA) of 3.24 Ų, Butylamine, N,N-bis(2-chloroethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylamine, N,N-bis(2-chloroethyl)-3-methyl- 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)-3-methyl-?
The CAS number of Butylamine, N,N-bis(2-chloroethyl)-3-methyl- is 98956-34-4.
What is the molecular formula of Butylamine, N,N-bis(2-chloroethyl)-3-methyl-?
The molecular formula of Butylamine, N,N-bis(2-chloroethyl)-3-methyl- is C9H19Cl2N.
What is the molecular weight of Butylamine, N,N-bis(2-chloroethyl)-3-methyl-?
The molecular weight of Butylamine, N,N-bis(2-chloroethyl)-3-methyl- is 211.09 g/mol.
Where can I buy Butylamine, N,N-bis(2-chloroethyl)-3-methyl-?
You can request a quote for Butylamine, N,N-bis(2-chloroethyl)-3-methyl- 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)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butylamine, N,N-bis(2-chloroethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.