4-Amino-3,5-dimethylbenzonitrile
TL;DR: 4-Amino-3,5-dimethylbenzonitrile (CAS 7570-98-1) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-dimethylbenzonitrile
Also Known As: 4-amino-3,5-dimethylbenzonitrile, 4-amino-3,5-dimethyl-benzonitrile, null, URANINEK, 4-Amino-35-dimethylbenzonitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7570-98-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)C)C#N |
| InChIKey | HRWCKMHTQMYUSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dimethylbenzonitrile (CAS 7570-98-1), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 4-amino-3,5-dimethylbenzonitrile.
Chemical Property Profile of 4-Amino-3,5-dimethylbenzonitrile
Property Insights of 4-Amino-3,5-dimethylbenzonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dimethylbenzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Amino-3,5-dimethylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dimethylbenzonitrile has 1 hydrogen bond donor(s) and 2 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-Amino-3,5-dimethylbenzonitrile?
The CAS number of 4-Amino-3,5-dimethylbenzonitrile is 7570-98-1.
What is the molecular formula of 4-Amino-3,5-dimethylbenzonitrile?
The molecular formula of 4-Amino-3,5-dimethylbenzonitrile is C9H10N2.
What is the molecular weight of 4-Amino-3,5-dimethylbenzonitrile?
The molecular weight of 4-Amino-3,5-dimethylbenzonitrile is 146.08 g/mol.
Where can I buy 4-Amino-3,5-dimethylbenzonitrile?
You can request a quote for 4-Amino-3,5-dimethylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dimethylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dimethylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.