Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
TL;DR: Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- (CAS 61361-59-9) is a chemical compound with molecular formula C11H15BrN2O3 and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine
Also Known As: N-(2-Bromoethyl)-2-ethoxy-5-nitrobenzylamine, N-(2-Bromoethyl)aminomethyl-4-ethoxynitrobenzene, BENZYLAMINE, N-(2-BROMOETHYL)-2-ETHOXY-5-NITRO-, 2-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine, 2-Bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethan-1-amine
| Molecular Formula | C11H15BrN2O3 |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.0266 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 61361-59-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNCCBr |
| InChIKey | YDSQNVQJZNBVNQ-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- (CAS 61361-59-9), with molecular formula C11H15BrN2O3 and molecular weight 302.03 g/mol. IUPAC: 2-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
Property Insights of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-. Following Lipinski's Rule of Five, Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- has 1 hydrogen bond donor(s) and 4 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 Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-?
The CAS number of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- is 61361-59-9.
What is the molecular formula of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-?
The molecular formula of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- is C11H15BrN2O3.
What is the molecular weight of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-?
The molecular weight of Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- is 302.03 g/mol.
Where can I buy Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-?
You can request a quote for Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-bromoethyl)-2-ethoxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.