![4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine structure](/static/products/1779/1779-05-1.webp)
4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine
TL;DR: 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine (CAS 1779-05-1) is a chemical compound with molecular formula C13H16N4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine
Also Known As: 4,4'-methylenedibenzene-1,2-diamine, bis(3,4-diaminophenyl)methane, 4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine, 4,4'-Methlenedi-o-phenylenediamine, 3,3',4,4'-tetraaminediphenylmethane
| Molecular Formula | C13H16N4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1375 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 1779-05-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)N)N)N |
| InChIKey | ILPWTQGYOZFLBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine (CAS 1779-05-1), with molecular formula C13H16N4 and molecular weight 228.14 g/mol. IUPAC: 4-[(3,4-diaminophenyl)methyl]benzene-1,2-diamine.
Chemical Property Profile of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine
Property Insights of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine. Following Lipinski's Rule of Five, 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine has 4 hydrogen bond donor(s) and 4 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-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine?
The CAS number of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine is 1779-05-1.
What is the molecular formula of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine?
The molecular formula of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine is C13H16N4.
What is the molecular weight of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine?
The molecular weight of 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine is 228.14 g/mol.
Where can I buy 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine?
You can request a quote for 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-Diaminophenyl)methyl]benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.