3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
TL;DR: 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) (CAS 64058-51-1) is a chemical compound with molecular formula C8H17Cl4N and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(2-chloroethyl)butan-1-amine;hydrochloride
Also Known As: 3-Chlorobutyl-bis(2-chloroethyl)amine hydrochloride, Butylamine, N,N-bis(2-chloroethyl)-3-chloro-, hydrochloride, 3-chloro-n,n-bis(2-chloroethyl)butan-1-amine hydrochloride(1:1), 3-chloro-N,N-bis(2-chloroethyl)butan-1-amine hydrochloride, 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C8H17Cl4N |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.00854 |
| Heavy Atoms | 13 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 64058-51-1 |
|---|---|
| SMILES | CC(CCN(CCCl)CCCl)Cl.Cl |
| InChIKey | AJLQXEQUKXLZMN-UHFFFAOYSA-N |
Product Overview
3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) (CAS 64058-51-1), with molecular formula C8H17Cl4N and molecular weight 267.01 g/mol. IUPAC: 3-chloro-N,N-bis(2-chloroethyl)butan-1-amine;hydrochloride.
Chemical Property Profile of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
Property Insights of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
The XLogP value of 3.21 indicates that 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (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 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)?
The CAS number of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) is 64058-51-1.
What is the molecular formula of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)?
The molecular formula of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) is C8H17Cl4N.
What is the molecular weight of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)?
The molecular weight of 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) is 267.01 g/mol.
Where can I buy 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)?
You can request a quote for 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N,N-bis(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.