Benzonitrile, 3-(aminomethyl)-
TL;DR: Benzonitrile, 3-(aminomethyl)- (CAS 10406-24-3) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)benzonitrile
Also Known As: 3-(aminomethyl)benzonitrile, 3-CYANOBENZYLAMINE, Benzylamine der, m-Cyanobenzylamine, Benzonitrile, 3-(aminomethyl)-
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 10406-24-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#N)CN |
| InChIKey | XFKPORAVEUOIRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 3-(aminomethyl)- (CAS 10406-24-3), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 3-(aminomethyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 3-(aminomethyl)-
Property Insights of Benzonitrile, 3-(aminomethyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-(aminomethyl)-. With a topological polar surface area (TPSA) of 49.8 Ų, Benzonitrile, 3-(aminomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-(aminomethyl)- 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 Benzonitrile, 3-(aminomethyl)-?
The CAS number of Benzonitrile, 3-(aminomethyl)- is 10406-24-3.
What is the molecular formula of Benzonitrile, 3-(aminomethyl)-?
The molecular formula of Benzonitrile, 3-(aminomethyl)- is C8H8N2.
What is the molecular weight of Benzonitrile, 3-(aminomethyl)-?
The molecular weight of Benzonitrile, 3-(aminomethyl)- is 132.07 g/mol.
Where can I buy Benzonitrile, 3-(aminomethyl)-?
You can request a quote for Benzonitrile, 3-(aminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-(aminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-(aminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.