(2-Chloroethyl)(2-chloropropyl)amine
TL;DR: (2-Chloroethyl)(2-chloropropyl)amine (CAS 100449-91-0) is a chemical compound with molecular formula C5H11Cl2N and molecular weight 155.02686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)propan-1-amine
Also Known As: (2-chloroethyl)(2-chloropropyl)amine, 2-chloro-N-(2-chloroethyl)propan-1-amine, o-methyl-m-[N,N-bis(2-chloroethyl)] amine
Technical Specifications
| Molecular Formula | C5H11Cl2N |
| Molecular Weight | 155.02686 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.02686 Da |
| Heavy Atoms | 8 |
| Complexity | 49.0 |
| SMILES | CC(CNCCCl)Cl |
| InChIKey | YSJCPBULFZDLKJ-UHFFFAOYSA-N |
Chemical Property Profile of (2-Chloroethyl)(2-chloropropyl)amine
Property Insights of (2-Chloroethyl)(2-chloropropyl)amine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloroethyl)(2-chloropropyl)amine. With a topological polar surface area (TPSA) of 12.0 Ų, (2-Chloroethyl)(2-chloropropyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloroethyl)(2-chloropropyl)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 (2-Chloroethyl)(2-chloropropyl)amine?
The CAS number of (2-Chloroethyl)(2-chloropropyl)amine is 100449-91-0.
What is the molecular formula of (2-Chloroethyl)(2-chloropropyl)amine?
The molecular formula of (2-Chloroethyl)(2-chloropropyl)amine is C5H11Cl2N.
What is the molecular weight of (2-Chloroethyl)(2-chloropropyl)amine?
The molecular weight of (2-Chloroethyl)(2-chloropropyl)amine is 155.02686 g/mol.
Where can I buy (2-Chloroethyl)(2-chloropropyl)amine?
You can request a quote for (2-Chloroethyl)(2-chloropropyl)amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Chloroethyl)(2-chloropropyl)amine?
Yes, CoreyChem provides custom synthesis services for (2-Chloroethyl)(2-chloropropyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.