Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-
TL;DR: Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- (CAS 61361-58-8) is a chemical compound with molecular formula C10H13BrN2O3 and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Also Known As: N-(2-Bromoethyl)-2-methoxy-5-nitrobenzylamine, N- -2-methoxy-5-nitrobenzylamine, N-(2-Bromoethyl)aminomethyl-4-methoxynitrobenzene, BENZYLAMINE, N-(2-BROMOETHYL)-2-METHOXY-5-NITRO-, 2-bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
| Molecular Formula | C10H13BrN2O3 |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.01096 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 61361-58-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCBr |
| InChIKey | OSWYWBCJIVTSBT-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- (CAS 61361-58-8), with molecular formula C10H13BrN2O3 and molecular weight 288.01 g/mol. IUPAC: 2-bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-
Property Insights of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-. Following Lipinski's Rule of Five, Benzylamine, N-(2-bromoethyl)-2-methoxy-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-methoxy-5-nitro-?
The CAS number of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- is 61361-58-8.
What is the molecular formula of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-?
The molecular formula of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- is C10H13BrN2O3.
What is the molecular weight of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-?
The molecular weight of Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- is 288.01 g/mol.
Where can I buy Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro-?
You can request a quote for Benzylamine, N-(2-bromoethyl)-2-methoxy-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-methoxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-bromoethyl)-2-methoxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.