4-Chloro-2-methylbenzene-1,3-diamine
TL;DR: 4-Chloro-2-methylbenzene-1,3-diamine (CAS 43171-59-1) is a chemical compound with molecular formula C7H9ClN2 and molecular weight 156.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-methylbenzene-1,3-diamine
Also Known As: 4-chloro-2-methylbenzene-1,3-diamine, 3-Chloro-2,6-toluenediamine, 1,3-Benzenediamine, 4-chloro-2-methyl-, 4-chloro-2-methyl-benzene-1,3-diamine, 2-Methyl-4-chloro-1,3-phenylenediamine
Technical Specifications
| Molecular Formula | C7H9ClN2 |
| Molecular Weight | 156.04543 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.04543 Da |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| SMILES | CC1=C(C=CC(=C1N)Cl)N |
| InChIKey | YVNQCASJZRKYQY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-methylbenzene-1,3-diamine
Property Insights of 4-Chloro-2-methylbenzene-1,3-diamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylbenzene-1,3-diamine. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Chloro-2-methylbenzene-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylbenzene-1,3-diamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-methylbenzene-1,3-diamine?
The CAS number of 4-Chloro-2-methylbenzene-1,3-diamine is 43171-59-1.
What is the molecular formula of 4-Chloro-2-methylbenzene-1,3-diamine?
The molecular formula of 4-Chloro-2-methylbenzene-1,3-diamine is C7H9ClN2.
What is the molecular weight of 4-Chloro-2-methylbenzene-1,3-diamine?
The molecular weight of 4-Chloro-2-methylbenzene-1,3-diamine is 156.04543 g/mol.
Where can I buy 4-Chloro-2-methylbenzene-1,3-diamine?
You can request a quote for 4-Chloro-2-methylbenzene-1,3-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-methylbenzene-1,3-diamine?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-methylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.