Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride
TL;DR: Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 55112-89-5) is a chemical compound with molecular formula C8H18Cl3N and molecular weight 233.05 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;hydrochloride
Also Known As: TL 513 hydrochloride, Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride, N,N-Bis(2-chloroethyl)butylamine hydrochloride, Butyl-bis(beta-chloroethyl)amine hydrochloride, n-Butyl-bis(2-chloroethylamine) hydrochloride
| Molecular Formula | C8H18Cl3N |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.05048 |
| Heavy Atoms | 12 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 55112-89-5 |
|---|---|
| SMILES | CCCCN(CCCl)CCCl.Cl |
| InChIKey | DNGSHNXJZOYVGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 55112-89-5), with molecular formula C8H18Cl3N and molecular weight 233.05 g/mol. IUPAC: N,N-bis(2-chloroethyl)butan-1-amine;hydrochloride.
Chemical Property Profile of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride
Property Insights of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride has 1 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)-, hydrochloride?
The CAS number of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 55112-89-5.
What is the molecular formula of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular formula of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride is C8H18Cl3N.
What is the molecular weight of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular weight of Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 233.05 g/mol.
Where can I buy Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
You can request a quote for Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride 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)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.