苯亚甲基苯胺
TL;DR: 苯亚甲基苯胺 (CAS 538-51-2) is a chemical compound with molecular formula C13H11N and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯亚甲基苯胺
N,1-diphenylmethanimine
Also Known As: N-Benzylideneaniline, Benzylideneaniline, (E)-N-Benzylideneaniline, BENZALANILINE, N,1-diphenylmethanimine
| Molecular Formula | C13H11N |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08914 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| Vapor Pressure | 0.00299 [mmHg] |
Chemical Identifiers
| CAS Number | 538-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=CC=C2 |
| InChIKey | UVEWQKMPXAHFST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯亚甲基苯胺 (CAS 538-51-2), with molecular formula C13H11N and molecular weight 181.09 g/mol. IUPAC: N,1-diphenylmethanimine.
Chemical Property Profile of 苯亚甲基苯胺
Property Insights of 苯亚甲基苯胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯亚甲基苯胺. With a topological polar surface area (TPSA) of 12.4 Ų, 苯亚甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯亚甲基苯胺 has 0 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 苯亚甲基苯胺?
The CAS number of 苯亚甲基苯胺 is 538-51-2.
What is the molecular formula of 苯亚甲基苯胺?
The molecular formula of 苯亚甲基苯胺 is C13H11N.
What is the molecular weight of 苯亚甲基苯胺?
The molecular weight of 苯亚甲基苯胺 is 181.09 g/mol.
Where can I buy 苯亚甲基苯胺?
You can request a quote for 苯亚甲基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯亚甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 苯亚甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.