Benzenamine, N-(2-chloroethyl)-4-methyl-
TL;DR: Benzenamine, N-(2-chloroethyl)-4-methyl- (CAS 39179-91-4) is a chemical compound with molecular formula C9H12ClN and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-4-methylaniline
Also Known As: N-(2-Chloroethyl)-4-methylaniline, N-(2-Chloroethyl)-p-toluidine, Benzenamine, N-(2-chloroethyl)-4-methyl-, N-(2-Chloroethyl)-4-methylbenzenamine, P-TOLUIDINE, N-(2-CHLOROETHYL)-
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 39179-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCCCl |
| InChIKey | SIEAXQLZOYXGMS-UHFFFAOYSA-N |
Product Overview
Benzenamine, N-(2-chloroethyl)-4-methyl- (CAS 39179-91-4), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: N-(2-chloroethyl)-4-methylaniline.
Chemical Property Profile of Benzenamine, N-(2-chloroethyl)-4-methyl-
Property Insights of Benzenamine, N-(2-chloroethyl)-4-methyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-(2-chloroethyl)-4-methyl-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, N-(2-chloroethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-(2-chloroethyl)-4-methyl- 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-(2-chloroethyl)-4-methyl-?
The CAS number of Benzenamine, N-(2-chloroethyl)-4-methyl- is 39179-91-4.
What is the molecular formula of Benzenamine, N-(2-chloroethyl)-4-methyl-?
The molecular formula of Benzenamine, N-(2-chloroethyl)-4-methyl- is C9H12ClN.
What is the molecular weight of Benzenamine, N-(2-chloroethyl)-4-methyl-?
The molecular weight of Benzenamine, N-(2-chloroethyl)-4-methyl- is 169.07 g/mol.
Where can I buy Benzenamine, N-(2-chloroethyl)-4-methyl-?
You can request a quote for Benzenamine, N-(2-chloroethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(2-chloroethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(2-chloroethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.