2-(Benzylamino)benzonitrile
TL;DR: 2-(Benzylamino)benzonitrile (CAS 5589-62-8) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)benzonitrile
Also Known As: 2-(benzylamino)benzonitrile, N-benzylanthranilonitrile, 2-Benzylaminobenzonitrile, ChemDiv2_002882, 2-(Benzylamino);benzonitrile
| Molecular Formula | C14H12N2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10005 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 5589-62-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=CC=C2C#N |
| InChIKey | JNNJQGFCEMZAQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylamino)benzonitrile (CAS 5589-62-8), with molecular formula C14H12N2 and molecular weight 208.10 g/mol. IUPAC: 2-(benzylamino)benzonitrile.
Chemical Property Profile of 2-(Benzylamino)benzonitrile
Property Insights of 2-(Benzylamino)benzonitrile
The XLogP value of 3.7 indicates that 2-(Benzylamino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 2-(Benzylamino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)benzonitrile 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 2-(Benzylamino)benzonitrile?
The CAS number of 2-(Benzylamino)benzonitrile is 5589-62-8.
What is the molecular formula of 2-(Benzylamino)benzonitrile?
The molecular formula of 2-(Benzylamino)benzonitrile is C14H12N2.
What is the molecular weight of 2-(Benzylamino)benzonitrile?
The molecular weight of 2-(Benzylamino)benzonitrile is 208.10 g/mol.
Where can I buy 2-(Benzylamino)benzonitrile?
You can request a quote for 2-(Benzylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.