3-Chlorobut-2-en-1-amine
TL;DR: 3-Chlorobut-2-en-1-amine (CAS 44391-38-0) is a chemical compound with molecular formula C4H8ClN and molecular weight 105.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobut-2-en-1-amine
Also Known As: 3-chlorobut-2-en-1-amine, 2-Buten-1-amine, 3-chloro-, 2-Buten-1-amine,3-chloro
| Molecular Formula | C4H8ClN |
|---|---|
| Molecular Weight | 105.03 g/mol |
| LogP | 1.0877 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.03453 |
| Heavy Atoms | 6 |
| Complexity | 54.568424 |
Chemical Identifiers
| CAS Number | 44391-38-0 |
|---|---|
| SMILES | CC(=CCN)Cl |
Product Overview
3-Chlorobut-2-en-1-amine (CAS 44391-38-0), with molecular formula C4H8ClN and molecular weight 105.03 g/mol. IUPAC: 3-chlorobut-2-en-1-amine.
Chemical Property Profile of 3-Chlorobut-2-en-1-amine
Property Insights of 3-Chlorobut-2-en-1-amine
The XLogP value of 1.0877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobut-2-en-1-amine. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Chlorobut-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobut-2-en-1-amine 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-Chlorobut-2-en-1-amine?
The CAS number of 3-Chlorobut-2-en-1-amine is 44391-38-0.
What is the molecular formula of 3-Chlorobut-2-en-1-amine?
The molecular formula of 3-Chlorobut-2-en-1-amine is C4H8ClN.
What is the molecular weight of 3-Chlorobut-2-en-1-amine?
The molecular weight of 3-Chlorobut-2-en-1-amine is 105.03 g/mol.
Where can I buy 3-Chlorobut-2-en-1-amine?
You can request a quote for 3-Chlorobut-2-en-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobut-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobut-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.