邻甲基苯胺
TL;DR: 邻甲基苯胺 (CAS 95-53-4) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻甲基苯胺
2-methylaniline
Also Known As: o-Toluidine, 2-Methylaniline, 2-Toluidine, o-Tolylamine, o-Methylaniline
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -16.3 °C |
| Boiling Point | 392 to 202.2 °C at 760 mmHg |
| Density | 0.998 at 20.0 °C - Less dense than water; will float |
| Solubility | 5 to 10 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | 85.0 °C |
| Vapor Pressure | 0.1 mmHg at 20.0 °C ; 0.3 mmHg at 30.0 °C |
| Refractive Index | 1.5688 at 20 °C |
Chemical Identifiers
| CAS Number | 95-53-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N |
| InChIKey | RNVCVTLRINQCPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻甲基苯胺 (CAS 95-53-4), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: 2-methylaniline.
Chemical Property Profile of 邻甲基苯胺
Property Insights of 邻甲基苯胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻甲基苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 邻甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻甲基苯胺 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 邻甲基苯胺?
The CAS number of 邻甲基苯胺 is 95-53-4.
What is the molecular formula of 邻甲基苯胺?
The molecular formula of 邻甲基苯胺 is C7H9N.
What is the molecular weight of 邻甲基苯胺?
The molecular weight of 邻甲基苯胺 is 107.07 g/mol.
Where can I buy 邻甲基苯胺?
You can request a quote for 邻甲基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 邻甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.