5-Chloro-1,2,3-benzenetriamine
TL;DR: 5-Chloro-1,2,3-benzenetriamine (CAS 100114-53-2) is a chemical compound with molecular formula C6H8ClN3 and molecular weight 157.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chlorobenzene-1,2,3-triamine
Also Known As: 5-chlorobenzene-1,2,3-triamine, 5-Chloro-1,2,3-benzenetriamine, 5-chloro-benzene-1,2,3-triyltriamine, 822-446-2
Technical Specifications
| Molecular Formula | C6H8ClN3 |
| Molecular Weight | 157.04068 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.04068 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | C1=C(C=C(C(=C1N)N)N)Cl |
| InChIKey | JIGLHKJLEWNHSS-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-1,2,3-benzenetriamine
Property Insights of 5-Chloro-1,2,3-benzenetriamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,2,3-benzenetriamine. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1,2,3-benzenetriamine. Following Lipinski's Rule of Five, 5-Chloro-1,2,3-benzenetriamine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-1,2,3-benzenetriamine?
The CAS number of 5-Chloro-1,2,3-benzenetriamine is 100114-53-2.
What is the molecular formula of 5-Chloro-1,2,3-benzenetriamine?
The molecular formula of 5-Chloro-1,2,3-benzenetriamine is C6H8ClN3.
What is the molecular weight of 5-Chloro-1,2,3-benzenetriamine?
The molecular weight of 5-Chloro-1,2,3-benzenetriamine is 157.04068 g/mol.
Where can I buy 5-Chloro-1,2,3-benzenetriamine?
You can request a quote for 5-Chloro-1,2,3-benzenetriamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-1,2,3-benzenetriamine?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-1,2,3-benzenetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.