2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
TL;DR: 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride (CAS 77985-08-1) 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.
3-chloro-N-(2-chloroethyl)butan-2-amine;hydrochloride
Also Known As: B 737, 3-Chloro-N-(2-chloroethyl)-2-butanamine hydrochloride, 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride, 3-chloro-N-(2-chloroethyl)butan-2-amine hydrochloride, 3-chloro-N-(2-chloroethyl)butan-2-amine,hydrochloride
| Molecular Formula | C6H14Cl3N |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.2524 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.01918 |
| Heavy Atoms | 10 |
| Complexity | 68.01327 |
Chemical Identifiers
| CAS Number | 77985-08-1 |
|---|---|
| SMILES | CC(C(C)Cl)NCCCl.Cl |
Product Overview
2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride (CAS 77985-08-1), with molecular formula C6H14Cl3N and molecular weight 205.02 g/mol. IUPAC: 3-chloro-N-(2-chloroethyl)butan-2-amine;hydrochloride.
Chemical Property Profile of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
Property Insights of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride
The XLogP value of 2.2524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylamine, 3-chloro-N-(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 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The CAS number of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is 77985-08-1.
What is the molecular formula of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The molecular formula of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is C6H14Cl3N.
What is the molecular weight of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
The molecular weight of 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride is 205.02 g/mol.
Where can I buy 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
You can request a quote for 2-Butylamine, 3-chloro-N-(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 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.