3-Aminophthalonitrile
TL;DR: 3-Aminophthalonitrile (CAS 58632-96-5) is a chemical compound with molecular formula C8H5N3 and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminobenzene-1,2-dicarbonitrile
Also Known As: 3-Aminophthalonitrile, dicyanoaniline, aminophthalonitrile, 3-aminobenzene-1,2-dicarbonitrile, 3-Amino-1,2-benzenedicarbonitrile
| Molecular Formula | C8H5N3 |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.04834 |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 58632-96-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)N)C#N)C#N |
| InChIKey | IHCNWWQQHZNTSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminophthalonitrile (CAS 58632-96-5), with molecular formula C8H5N3 and molecular weight 143.05 g/mol. IUPAC: 3-aminobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-Aminophthalonitrile
Property Insights of 3-Aminophthalonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminophthalonitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminophthalonitrile. Following Lipinski's Rule of Five, 3-Aminophthalonitrile has 1 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 3-Aminophthalonitrile?
The CAS number of 3-Aminophthalonitrile is 58632-96-5.
What is the molecular formula of 3-Aminophthalonitrile?
The molecular formula of 3-Aminophthalonitrile is C8H5N3.
What is the molecular weight of 3-Aminophthalonitrile?
The molecular weight of 3-Aminophthalonitrile is 143.05 g/mol.
Where can I buy 3-Aminophthalonitrile?
You can request a quote for 3-Aminophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.