N-甲基苯胺
TL;DR: N-甲基苯胺 (CAS 100-61-8) 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.
N-甲基苯胺
N-methylaniline
Also Known As: N-METHYLANILINE, Methylaniline, Monomethylaniline, Methylphenylamine, N-Methyl aniline
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -57.2 °C |
| Boiling Point | 196.3 °C at 760 mmHg |
| Density | 0.989 at 20.0 °C - Less dense than water; will float |
| Solubility | 1 to 5 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 79.4 °C |
| Vapor Pressure | 1 mmHg at 41.1 °C |
| Refractive Index | 1.57367 @ 15 °C; 1.5684 @ 25 °C |
Chemical Identifiers
| CAS Number | 100-61-8 |
|---|---|
| SMILES | CNC1=CC=CC=C1 |
| InChIKey | AFBPFSWMIHJQDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基苯胺 (CAS 100-61-8), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: N-methylaniline.
Chemical Property Profile of N-甲基苯胺
Property Insights of N-甲基苯胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基苯胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-甲基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-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 N-甲基苯胺?
The CAS number of N-甲基苯胺 is 100-61-8.
What is the molecular formula of N-甲基苯胺?
The molecular formula of N-甲基苯胺 is C7H9N.
What is the molecular weight of N-甲基苯胺?
The molecular weight of N-甲基苯胺 is 107.07 g/mol.
Where can I buy N-甲基苯胺?
You can request a quote for N-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 N-甲基苯胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.