![4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine structure](/static/products/942/94213-33-9.png)
4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine
TL;DR: 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine (CAS 94213-33-9) 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.
4-[(5-amino-2-methylphenyl)methyl]benzene-1,3-diamine
Also Known As: EINECS 303-736-3, 4-[ methyl]benzene-1,3-diamine, 4-[(5-amino-2-methylphenyl)methyl]benzene-1,3-diamine, 4-((5-Amino-2-methylphenyl)methyl)benzene-1,3-diamine, 4-[(5-Amino-2-methylphenyl)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 | 547.15875 |
Chemical Identifiers
| CAS Number | 94213-33-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)CC2=C(C=C(C=C2)N)N |
Product Overview
4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine (CAS 94213-33-9), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 4-[(5-amino-2-methylphenyl)methyl]benzene-1,3-diamine.
Chemical Property Profile of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine
Property Insights of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine
The XLogP value of 2.33242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine. The TPSA of 78.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine. Following Lipinski's Rule of Five, 4-[(5-Amino-2-methylphenyl)methyl]benzene-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 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine?
The CAS number of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine is 94213-33-9.
What is the molecular formula of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine?
The molecular formula of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine is C14H17N3.
What is the molecular weight of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine?
The molecular weight of 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine is 227.14 g/mol.
Where can I buy 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine?
You can request a quote for 4-[(5-Amino-2-methylphenyl)methyl]benzene-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-Amino-2-methylphenyl)methyl]benzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Amino-2-methylphenyl)methyl]benzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.