1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)
TL;DR: 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) (CAS 52801-94-2) is a chemical compound with molecular formula C6H14Cl3N and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)butan-1-amine;hydrochloride
Also Known As: B 726, 2-Chloro-N-(2-chloroethyl)-1-butanamine hydrochloride, 1-Butylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride, 2-chloro-N-(2-chloroethyl)butan-1-amine hydrochloride, 2-chloro-N-(2-chloroethyl)butan-1-amine,hydrochloride
| Molecular Formula | C6H14Cl3N |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.254 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.01918 |
| Heavy Atoms | 10 |
| Complexity | 60.954617 |
Chemical Identifiers
| CAS Number | 52801-94-2 |
|---|---|
| SMILES | CCC(CNCCCl)Cl.Cl |
Product Overview
1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) (CAS 52801-94-2), with molecular formula C6H14Cl3N and molecular weight 205.02 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)butan-1-amine;hydrochloride.
Chemical Property Profile of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)
Property Insights of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)
The XLogP value of 2.254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 12.03 Ų, 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) 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 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)?
The CAS number of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) is 52801-94-2.
What is the molecular formula of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)?
The molecular formula of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) is C6H14Cl3N.
What is the molecular weight of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)?
The molecular weight of 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) is 205.02 g/mol.
Where can I buy 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)?
You can request a quote for 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.