![5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine structure](/static/products/855/85586-63-6.png)
5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine
TL;DR: 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine (CAS 85586-63-6) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
Also Known As: EINECS 287-868-6, 5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine, 5-((4-Aminophenyl)methyl)-2-methylbenzene-1,3-diamine, 5-[(4-Aminophenyl)methyl]-2-methyl-1,3-benzenediamine
| Molecular Formula | C14H17N3 |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 2.33242 |
| Topological Polar Surface Area | 78.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.14224 |
| Heavy Atoms | 17 |
| Complexity | 506.65875 |
Chemical Identifiers
| CAS Number | 85586-63-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N)CC2=CC=C(C=C2)N)N |
Product Overview
5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine (CAS 85586-63-6), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine.
Chemical Property Profile of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine
Property Insights of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine
The XLogP value of 2.33242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine. The TPSA of 78.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine. Following Lipinski's Rule of Five, 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine 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
Frequently Asked Questions
What is the CAS number of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine?
The CAS number of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine is 85586-63-6.
What is the molecular formula of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine?
The molecular formula of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine is C14H17N3.
What is the molecular weight of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine?
The molecular weight of 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine is 227.14 g/mol.
Where can I buy 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine?
You can request a quote for 5-[(4-Aminophenyl)methyl]-2-methylbenzene-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 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Aminophenyl)methyl]-2-methylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.