Benzenamine, N,3-dimethyl-
TL;DR: Benzenamine, N,3-dimethyl- (CAS 696-44-6) 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.
N,3-dimethylaniline
Also Known As: N,3-Dimethylaniline, N-Methyl-m-toluidine, 3-(Methylamino)toluene, Benzenamine, N,3-dimethyl-, m,N-Dimethylaniline
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 696-44-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC |
| InChIKey | FBGJJTQNZVNEQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, N,3-dimethyl- (CAS 696-44-6), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: N,3-dimethylaniline.
Chemical Property Profile of Benzenamine, N,3-dimethyl-
Property Insights of Benzenamine, N,3-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N,3-dimethyl-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, N,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N,3-dimethyl- 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 Benzenamine, N,3-dimethyl-?
The CAS number of Benzenamine, N,3-dimethyl- is 696-44-6.
What is the molecular formula of Benzenamine, N,3-dimethyl-?
The molecular formula of Benzenamine, N,3-dimethyl- is C8H11N.
What is the molecular weight of Benzenamine, N,3-dimethyl-?
The molecular weight of Benzenamine, N,3-dimethyl- is 121.09 g/mol.
Where can I buy Benzenamine, N,3-dimethyl-?
You can request a quote for Benzenamine, N,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.