2-(4-Aminobenzyl)aniline
TL;DR: 2-(4-Aminobenzyl)aniline (CAS 1208-52-2) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminophenyl)methyl]aniline
Also Known As: 2-(4-aminobenzyl)aniline, 2,4'-Diaminodiphenylmethane, 2,4'-Diaminodiphenylmethan, 2,4'-METHYLENEDIANILINE, 2',4-Bis(aminophenyl)methane
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| Melting Point | 190 to 88.9 °C |
| Boiling Point | 222.2 °C at 9 mmHg |
Chemical Identifiers
| CAS Number | 1208-52-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=CC=C(C=C2)N)N |
| InChIKey | UTNMPUFESIRPQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Aminobenzyl)aniline (CAS 1208-52-2), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 2-[(4-aminophenyl)methyl]aniline.
Chemical Property Profile of 2-(4-Aminobenzyl)aniline
Property Insights of 2-(4-Aminobenzyl)aniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Aminobenzyl)aniline. With a topological polar surface area (TPSA) of 52.0 Ų, 2-(4-Aminobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Aminobenzyl)aniline has 2 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-(4-Aminobenzyl)aniline?
The CAS number of 2-(4-Aminobenzyl)aniline is 1208-52-2.
What is the molecular formula of 2-(4-Aminobenzyl)aniline?
The molecular formula of 2-(4-Aminobenzyl)aniline is C13H14N2.
What is the molecular weight of 2-(4-Aminobenzyl)aniline?
The molecular weight of 2-(4-Aminobenzyl)aniline is 198.12 g/mol.
Where can I buy 2-(4-Aminobenzyl)aniline?
You can request a quote for 2-(4-Aminobenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Aminobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.