3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine
TL;DR: 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine (CAS 117887-82-8) is a chemical compound with molecular formula C8H13Cl2N and molecular weight 193.04251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine
Also Known As: Bis-(3-chloro-but-2-enyl)-amine, BAS 05422200, 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine
Technical Specifications
| Molecular Formula | C8H13Cl2N |
| Molecular Weight | 193.04251 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.04251 Da |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| SMILES | CC(=CCNCC=C(C)Cl)Cl |
| InChIKey | TTYRCXIDJLTWSI-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine
Property Insights of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine. With a topological polar surface area (TPSA) of 12.0 Ų, 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(3-chlorobut-2-enyl)but-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
What is the CAS number of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine?
The CAS number of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine is 117887-82-8.
What is the molecular formula of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine?
The molecular formula of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine is C8H13Cl2N.
What is the molecular weight of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine?
The molecular weight of 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine is 193.04251 g/mol.
Where can I buy 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine?
You can request a quote for 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine?
Yes, CoreyChem provides custom synthesis services for 3-chloro-N-(3-chlorobut-2-enyl)but-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.