N-methylbenzyliden-imine
TL;DR: N-methylbenzyliden-imine (CAS 5434-45-7) is a chemical compound with molecular formula C8H9N and molecular weight 119.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methanimine
Also Known As: (4-methylphenyl)methanimine, p-Tolylmethanimine, N-methylbenzyliden-imine, 4-Methylphenylmethanimine, 4-Methylbenzenemethanimine
| Molecular Formula | C8H9N |
|---|---|
| Molecular Weight | 119.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.0735 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 5434-45-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=N |
| InChIKey | IZVONMSLZFRGFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methylbenzyliden-imine (CAS 5434-45-7), with molecular formula C8H9N and molecular weight 119.07 g/mol. IUPAC: (4-methylphenyl)methanimine.
Chemical Property Profile of N-methylbenzyliden-imine
Property Insights of N-methylbenzyliden-imine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methylbenzyliden-imine. With a topological polar surface area (TPSA) of 23.9 Ų, N-methylbenzyliden-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methylbenzyliden-imine has 1 hydrogen bond donor(s) and 1 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 N-methylbenzyliden-imine?
The CAS number of N-methylbenzyliden-imine is 5434-45-7.
What is the molecular formula of N-methylbenzyliden-imine?
The molecular formula of N-methylbenzyliden-imine is C8H9N.
What is the molecular weight of N-methylbenzyliden-imine?
The molecular weight of N-methylbenzyliden-imine is 119.07 g/mol.
Where can I buy N-methylbenzyliden-imine?
You can request a quote for N-methylbenzyliden-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methylbenzyliden-imine?
Yes, KEHONG BIO provides custom synthesis services for N-methylbenzyliden-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.