3,5-二甲基苯胺
TL;DR: 3,5-二甲基苯胺 (CAS 108-69-0) 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.
3,5-二甲基苯胺
3,5-dimethylaniline
Also Known As: 3,5-Dimethylaniline, 3,5-XYLIDINE, 3,5-Xylylamine, 3,5-Xylidene, Benzenamine, 3,5-dimethyl-
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.0 |
| 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 | 80.0 |
| Melting Point | 9.8 °C |
| Boiling Point | 428 to 221.1 °C at 760 mmHg |
| Density | 0.9706 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 93.3 °C |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | 1.5581 @ 20 °C |
Chemical Identifiers
| CAS Number | 108-69-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N)C |
| InChIKey | MKARNSWMMBGSHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基苯胺 (CAS 108-69-0), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 3,5-dimethylaniline.
Chemical Property Profile of 3,5-二甲基苯胺
Property Insights of 3,5-二甲基苯胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3,5-二甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基苯胺 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 3,5-二甲基苯胺?
The CAS number of 3,5-二甲基苯胺 is 108-69-0.
What is the molecular formula of 3,5-二甲基苯胺?
The molecular formula of 3,5-二甲基苯胺 is C8H11N.
What is the molecular weight of 3,5-二甲基苯胺?
The molecular weight of 3,5-二甲基苯胺 is 121.09 g/mol.
Where can I buy 3,5-二甲基苯胺?
You can request a quote for 3,5-二甲基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.