N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine
TL;DR: N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine (CAS 199803-09-3) is a chemical compound with molecular formula C16H19ClN2 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
Also Known As: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-2-methylaniline, 3-chloro-N-[(4-dimethylaminophenyl)methyl]-2-methyl-aniline, 3-chloro-N-{[4-(dimethylamino)phenyl]methyl}-2-methylaniline, N-ALPHA-(3-CHLORO-O-TOLYL)-N4,N4-DIMETHYLTOLUENE-ALPHA,4-DIAMINE
| Molecular Formula | C16H19ClN2 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 4.32652 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1237 |
| Heavy Atoms | 19 |
| Complexity | 547.1754 |
Chemical Identifiers
| CAS Number | 199803-09-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NCC2=CC=C(C=C2)N(C)C |
Product Overview
N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine (CAS 199803-09-3), with molecular formula C16H19ClN2 and molecular weight 274.12 g/mol. IUPAC: 3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline.
Chemical Property Profile of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine
Property Insights of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine
The XLogP value of 4.32652 indicates that N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine has 1 hydrogen bond donor(s) and 2 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-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine?
The CAS number of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine is 199803-09-3.
What is the molecular formula of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine?
The molecular formula of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine is C16H19ClN2.
What is the molecular weight of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine?
The molecular weight of N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine is 274.12 g/mol.
Where can I buy N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine?
You can request a quote for N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-alpha-(3-Chloro-O-tolyl)-N4,N4-dimethyltoluene-alpha,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.