2-Amino-4,6-dimethylisophthalonitrile
TL;DR: 2-Amino-4,6-dimethylisophthalonitrile (CAS 10272-10-3) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile
Also Known As: 2-Amino-4,6-dimethylisophthalonitrile, 2,6-dicyano-3,5-dimethylaniline, 2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 2-amino-4,6-dimethyl-, J2.026.433K
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 10272-10-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C#N)N)C#N)C |
| InChIKey | MMZNMKQTEGNFOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,6-dimethylisophthalonitrile (CAS 10272-10-3), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 2-amino-4,6-dimethylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 2-Amino-4,6-dimethylisophthalonitrile
Property Insights of 2-Amino-4,6-dimethylisophthalonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,6-dimethylisophthalonitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,6-dimethylisophthalonitrile. Following Lipinski's Rule of Five, 2-Amino-4,6-dimethylisophthalonitrile 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 2-Amino-4,6-dimethylisophthalonitrile?
The CAS number of 2-Amino-4,6-dimethylisophthalonitrile is 10272-10-3.
What is the molecular formula of 2-Amino-4,6-dimethylisophthalonitrile?
The molecular formula of 2-Amino-4,6-dimethylisophthalonitrile is C10H9N3.
What is the molecular weight of 2-Amino-4,6-dimethylisophthalonitrile?
The molecular weight of 2-Amino-4,6-dimethylisophthalonitrile is 171.08 g/mol.
Where can I buy 2-Amino-4,6-dimethylisophthalonitrile?
You can request a quote for 2-Amino-4,6-dimethylisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,6-dimethylisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,6-dimethylisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.