N1-(2,2-diethoxyethyl)-4-methylaniline
TL;DR: N1-(2,2-diethoxyethyl)-4-methylaniline (CAS 75934-28-0) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-diethoxyethyl)-4-methylaniline
Also Known As: N1-(2,2-diethoxyethyl)-4-methylaniline, N-(2,2-diethoxyethyl)-4-methylaniline, Benzenamine,N-(2,2-diethoxyethyl)-4-methyl-
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.80602 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 278.48898 |
Chemical Identifiers
| CAS Number | 75934-28-0 |
|---|---|
| SMILES | CCOC(CNC1=CC=C(C=C1)C)OCC |
Product Overview
N1-(2,2-diethoxyethyl)-4-methylaniline (CAS 75934-28-0), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: N-(2,2-diethoxyethyl)-4-methylaniline.
Chemical Property Profile of N1-(2,2-diethoxyethyl)-4-methylaniline
Property Insights of N1-(2,2-diethoxyethyl)-4-methylaniline
The XLogP value of 2.80602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(2,2-diethoxyethyl)-4-methylaniline. With a topological polar surface area (TPSA) of 30.49 Ų, N1-(2,2-diethoxyethyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(2,2-diethoxyethyl)-4-methylaniline has 1 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 N1-(2,2-diethoxyethyl)-4-methylaniline?
The CAS number of N1-(2,2-diethoxyethyl)-4-methylaniline is 75934-28-0.
What is the molecular formula of N1-(2,2-diethoxyethyl)-4-methylaniline?
The molecular formula of N1-(2,2-diethoxyethyl)-4-methylaniline is C13H21NO2.
What is the molecular weight of N1-(2,2-diethoxyethyl)-4-methylaniline?
The molecular weight of N1-(2,2-diethoxyethyl)-4-methylaniline is 223.16 g/mol.
Where can I buy N1-(2,2-diethoxyethyl)-4-methylaniline?
You can request a quote for N1-(2,2-diethoxyethyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(2,2-diethoxyethyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N1-(2,2-diethoxyethyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.