Aniline, N-(2-bromoethyl)-N-ethyl-
TL;DR: Aniline, N-(2-bromoethyl)-N-ethyl- (CAS 827-50-9) is a chemical compound with molecular formula C10H14BrN and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-N-ethylaniline
Also Known As: N-(2-Bromoethyl)-N-ethylaniline, ANILINE, N-(2-BROMOETHYL)-N-ETHYL-, N-ethyl-N-(2-bromo-ethyl)-aniline, 3-12-00-00263 (Beilstein Handbook Reference), RefChem:1077008
| Molecular Formula | C10H14BrN |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03096 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 827-50-9 |
|---|---|
| SMILES | CCN(CCBr)C1=CC=CC=C1 |
| InChIKey | VNHIWLRYPBSACZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N-(2-bromoethyl)-N-ethyl- (CAS 827-50-9), with molecular formula C10H14BrN and molecular weight 227.03 g/mol. IUPAC: N-(2-bromoethyl)-N-ethylaniline.
Chemical Property Profile of Aniline, N-(2-bromoethyl)-N-ethyl-
Property Insights of Aniline, N-(2-bromoethyl)-N-ethyl-
The XLogP value of 3.5 indicates that Aniline, N-(2-bromoethyl)-N-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline, N-(2-bromoethyl)-N-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N-(2-bromoethyl)-N-ethyl- 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-bromoethyl)-N-ethyl-?
The CAS number of Aniline, N-(2-bromoethyl)-N-ethyl- is 827-50-9.
What is the molecular formula of Aniline, N-(2-bromoethyl)-N-ethyl-?
The molecular formula of Aniline, N-(2-bromoethyl)-N-ethyl- is C10H14BrN.
What is the molecular weight of Aniline, N-(2-bromoethyl)-N-ethyl-?
The molecular weight of Aniline, N-(2-bromoethyl)-N-ethyl- is 227.03 g/mol.
Where can I buy Aniline, N-(2-bromoethyl)-N-ethyl-?
You can request a quote for Aniline, N-(2-bromoethyl)-N-ethyl- 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-bromoethyl)-N-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(2-bromoethyl)-N-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.