N,N,2-Trimethylaniline
TL;DR: N,N,2-Trimethylaniline (CAS 609-72-3) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,2-trimethylaniline
Also Known As: N,N-Dimethyl-o-toluidine, N,N,2-TRIMETHYLANILINE, Dimethyl-o-toluidine, N,N,2-Trimethylbenzenamine, o-Methyldimethylaniline
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 609-72-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N(C)C |
| InChIKey | JDEJGVSZUIJWBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,2-Trimethylaniline (CAS 609-72-3), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: N,N,2-trimethylaniline.
Chemical Property Profile of N,N,2-Trimethylaniline
Property Insights of N,N,2-Trimethylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,2-Trimethylaniline. With a topological polar surface area (TPSA) of 3.2 Ų, N,N,2-Trimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,2-Trimethylaniline has 0 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,N,2-Trimethylaniline?
The CAS number of N,N,2-Trimethylaniline is 609-72-3.
What is the molecular formula of N,N,2-Trimethylaniline?
The molecular formula of N,N,2-Trimethylaniline is C9H13N.
What is the molecular weight of N,N,2-Trimethylaniline?
The molecular weight of N,N,2-Trimethylaniline is 135.10 g/mol.
Where can I buy N,N,2-Trimethylaniline?
You can request a quote for N,N,2-Trimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,2-Trimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N,2-Trimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.