N-Dimethoxymethyleneaniline
TL;DR: N-Dimethoxymethyleneaniline (CAS 13997-51-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-N-phenylmethanimine
Also Known As: N-Dimethoxymethyleneaniline, N-(Dimethoxymethylene)aniline, dimethyl N-phenylimidocarbonate, 1,1-dimethoxy-N-phenylmethanimine, Dimethyl phenylimidocarbonate #
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 13997-51-8 |
|---|---|
| SMILES | COC(=NC1=CC=CC=C1)OC |
| InChIKey | XYGIRQSIIUSSLD-UHFFFAOYSA-N |
Product Overview
N-Dimethoxymethyleneaniline (CAS 13997-51-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 1,1-dimethoxy-N-phenylmethanimine.
Chemical Property Profile of N-Dimethoxymethyleneaniline
Property Insights of N-Dimethoxymethyleneaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Dimethoxymethyleneaniline. With a topological polar surface area (TPSA) of 30.8 Ų, N-Dimethoxymethyleneaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Dimethoxymethyleneaniline has 0 hydrogen bond donor(s) and 3 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-Dimethoxymethyleneaniline?
The CAS number of N-Dimethoxymethyleneaniline is 13997-51-8.
What is the molecular formula of N-Dimethoxymethyleneaniline?
The molecular formula of N-Dimethoxymethyleneaniline is C9H11NO2.
What is the molecular weight of N-Dimethoxymethyleneaniline?
The molecular weight of N-Dimethoxymethyleneaniline is 165.08 g/mol.
Where can I buy N-Dimethoxymethyleneaniline?
You can request a quote for N-Dimethoxymethyleneaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Dimethoxymethyleneaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Dimethoxymethyleneaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.