二苯胺
TL;DR: 二苯胺 (CAS 122-39-4) is a chemical compound with molecular formula C12H11N and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯胺
N-phenylaniline
Also Known As: Diphenylamine, N-Phenylaniline, Anilinobenzene, N-Phenylbenzenamine, Phenylaniline
| Molecular Formula | C12H11N |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.08914 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
| Melting Point | 129 to 55.0 °C |
| Boiling Point | 302.2 °C at 760 mmHg |
| Density | 1.068 at 61.0 °C |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | 152.8 °C |
| Vapor Pressure | 1 mmHg at 108.3 °C ; 60 mmHg at 206.9 °C |
Chemical Identifiers
| CAS Number | 122-39-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | DMBHHRLKUKUOEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯胺 (CAS 122-39-4), with molecular formula C12H11N and molecular weight 169.09 g/mol. IUPAC: N-phenylaniline.
Chemical Property Profile of 二苯胺
Property Insights of 二苯胺
The XLogP value of 3.5 indicates that 二苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 二苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯胺 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 二苯胺?
The CAS number of 二苯胺 is 122-39-4.
What is the molecular formula of 二苯胺?
The molecular formula of 二苯胺 is C12H11N.
What is the molecular weight of 二苯胺?
The molecular weight of 二苯胺 is 169.09 g/mol.
Where can I buy 二苯胺?
You can request a quote for 二苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯胺?
Yes, KEHONG BIO provides custom synthesis services for 二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.