4,5-Dimethylbenzene-1,3-diamine
TL;DR: 4,5-Dimethylbenzene-1,3-diamine (CAS 38353-98-9) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethylbenzene-1,3-diamine
Also Known As: 4,5-dimethylbenzene-1,3-diamine, o-Xylene-3,5-diamine, 1,3-Benzenediamine,4,5-dimethyl-, 3,5-Diamino-1,2-dimethylbenzene, 4,5-dimethyl-m-phenylenediamine
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.46784 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 230.42966 |
Chemical Identifiers
| CAS Number | 38353-98-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)N)N |
Product Overview
4,5-Dimethylbenzene-1,3-diamine (CAS 38353-98-9), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 4,5-dimethylbenzene-1,3-diamine.
Chemical Property Profile of 4,5-Dimethylbenzene-1,3-diamine
Property Insights of 4,5-Dimethylbenzene-1,3-diamine
The XLogP value of 1.46784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylbenzene-1,3-diamine. With a topological polar surface area (TPSA) of 52.04 Ų, 4,5-Dimethylbenzene-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylbenzene-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
Frequently Asked Questions
What is the CAS number of 4,5-Dimethylbenzene-1,3-diamine?
The CAS number of 4,5-Dimethylbenzene-1,3-diamine is 38353-98-9.
What is the molecular formula of 4,5-Dimethylbenzene-1,3-diamine?
The molecular formula of 4,5-Dimethylbenzene-1,3-diamine is C8H12N2.
What is the molecular weight of 4,5-Dimethylbenzene-1,3-diamine?
The molecular weight of 4,5-Dimethylbenzene-1,3-diamine is 136.10 g/mol.
Where can I buy 4,5-Dimethylbenzene-1,3-diamine?
You can request a quote for 4,5-Dimethylbenzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylbenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.