4,4'-Diaminodiphenylamine
TL;DR: 4,4'-Diaminodiphenylamine (CAS 537-65-5) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-(4-aminophenyl)benzene-1,4-diamine
Also Known As: 4,4'-Iminodianiline, Indamine, N1-(4-Aminophenyl)benzene-1,4-diamine, Diazol Black C, 1,4-Benzenediamine, N-(4-aminophenyl)-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.11095 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 Da |
| Heavy Atoms | 15 |
| Complexity | 159.0 |
| SMILES | C1=CC(=CC=C1N)NC2=CC=C(C=C2)N |
| InChIKey | QZHXKQKKEBXYRG-UHFFFAOYSA-N |
Product Description
Applications: 4,4'-Diaminodiphenylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4,4'-Diaminodiphenylamine is a pharmaceutical intermediate identified by CAS number 537-65-5 and the molecular formula C12H13N3 and a molecular weight of 199.11 g/mol. Synonyms include 4,4'-Iminodianiline and Indamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4,4'-Diaminodiphenylamine
Property Insights of 4,4'-Diaminodiphenylamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Diaminodiphenylamine. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Diaminodiphenylamine. Following Lipinski's Rule of Five, 4,4'-Diaminodiphenylamine 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
What is the CAS number of 4,4'-Diaminodiphenylamine?
The CAS number of 4,4'-Diaminodiphenylamine is 537-65-5.
What is the molecular formula of 4,4'-Diaminodiphenylamine?
The molecular formula of 4,4'-Diaminodiphenylamine is C12H13N3.
What is the molecular weight of 4,4'-Diaminodiphenylamine?
The molecular weight of 4,4'-Diaminodiphenylamine is 199.11095 g/mol.
What are the applications of 4,4'-Diaminodiphenylamine?
4,4'-Diaminodiphenylamine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 4,4'-Diaminodiphenylamine?
You can request a quote for 4,4'-Diaminodiphenylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Diaminodiphenylamine?
Yes, CoreyChem provides custom synthesis services for 4,4'-Diaminodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.