2,5-二甲基苯胺
TL;DR: 2,5-二甲基苯胺 (CAS 95-78-3) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二甲基苯胺
2,5-dimethylaniline
Also Known As: 2,5-Dimethylaniline, 2,5-XYLIDINE, p-Xylidine, p-Dimethylaniline, 2,5-Dimethylbenzenamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | 15.5 °C |
| Boiling Point | 213.9 °C at 760 mmHg |
| Density | 0.979 at 21.1 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 93.9 °C |
| Vapor Pressure | 16.5 mmHg at 22.2 °C ; 31.4 mmHg at 39.5 °C; 109.0 mmHg at 68.5 °C |
| Refractive Index | 1.5591 @ 21 °C |
Chemical Identifiers
| CAS Number | 95-78-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N |
| InChIKey | VOWZNBNDMFLQGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基苯胺 (CAS 95-78-3), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2,5-dimethylaniline.
Chemical Property Profile of 2,5-二甲基苯胺
Property Insights of 2,5-二甲基苯胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 2,5-二甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基苯胺 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 2,5-二甲基苯胺?
The CAS number of 2,5-二甲基苯胺 is 95-78-3.
What is the molecular formula of 2,5-二甲基苯胺?
The molecular formula of 2,5-二甲基苯胺 is C8H11N.
What is the molecular weight of 2,5-二甲基苯胺?
The molecular weight of 2,5-二甲基苯胺 is 121.09 g/mol.
Where can I buy 2,5-二甲基苯胺?
You can request a quote for 2,5-二甲基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.