Aniline, N-(2-chloroethyl)-N-methyl-
TL;DR: Aniline, N-(2-chloroethyl)-N-methyl- (CAS 1669-85-8) 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)-N-methylaniline
Also Known As: N-(2-Chloroethyl)-N-methylaniline, 2-Chloroethylmethylphenylamine, N-(2-Chloroethyl)-N-methylbenzenamine, N-Methyl-N-chloroethyl aniline, ANILINE, N-(2-CHLOROETHYL)-N-METHYL-
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1669-85-8 |
|---|---|
| SMILES | CN(CCCl)C1=CC=CC=C1 |
| InChIKey | KYTLVUBCXILIQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N-(2-chloroethyl)-N-methyl- (CAS 1669-85-8), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: N-(2-chloroethyl)-N-methylaniline.
Chemical Property Profile of Aniline, N-(2-chloroethyl)-N-methyl-
Property Insights of Aniline, N-(2-chloroethyl)-N-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, N-(2-chloroethyl)-N-methyl-. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline, N-(2-chloroethyl)-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N-(2-chloroethyl)-N-methyl- has 0 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 Aniline, N-(2-chloroethyl)-N-methyl-?
The CAS number of Aniline, N-(2-chloroethyl)-N-methyl- is 1669-85-8.
What is the molecular formula of Aniline, N-(2-chloroethyl)-N-methyl-?
The molecular formula of Aniline, N-(2-chloroethyl)-N-methyl- is C9H12ClN.
What is the molecular weight of Aniline, N-(2-chloroethyl)-N-methyl-?
The molecular weight of Aniline, N-(2-chloroethyl)-N-methyl- is 169.07 g/mol.
Where can I buy Aniline, N-(2-chloroethyl)-N-methyl-?
You can request a quote for Aniline, N-(2-chloroethyl)-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-(2-chloroethyl)-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(2-chloroethyl)-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.