Benzenemethanamine, 2-bromo-N-ethyl-
TL;DR: Benzenemethanamine, 2-bromo-N-ethyl- (CAS 90389-52-9) is a chemical compound with molecular formula C9H12BrN and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromophenyl)methyl]ethanamine
Also Known As: (2-Bromo-benzyl)-ethyl-amine, Benzylamine der, N-(2-bromobenzyl)ethanamine, N-[(2-bromophenyl)methyl]ethanamine, Benzenemethanamine, 2-bromo-N-ethyl-
| Molecular Formula | C9H12BrN |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0153 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 90389-52-9 |
|---|---|
| SMILES | CCNCC1=CC=CC=C1Br |
| InChIKey | LIRKZBIKUSDDKN-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 2-bromo-N-ethyl- (CAS 90389-52-9), with molecular formula C9H12BrN and molecular weight 213.02 g/mol. IUPAC: N-[(2-bromophenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, 2-bromo-N-ethyl-
Property Insights of Benzenemethanamine, 2-bromo-N-ethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 2-bromo-N-ethyl-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, 2-bromo-N-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 2-bromo-N-ethyl- 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 Benzenemethanamine, 2-bromo-N-ethyl-?
The CAS number of Benzenemethanamine, 2-bromo-N-ethyl- is 90389-52-9.
What is the molecular formula of Benzenemethanamine, 2-bromo-N-ethyl-?
The molecular formula of Benzenemethanamine, 2-bromo-N-ethyl- is C9H12BrN.
What is the molecular weight of Benzenemethanamine, 2-bromo-N-ethyl-?
The molecular weight of Benzenemethanamine, 2-bromo-N-ethyl- is 213.02 g/mol.
Where can I buy Benzenemethanamine, 2-bromo-N-ethyl-?
You can request a quote for Benzenemethanamine, 2-bromo-N-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 2-bromo-N-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 2-bromo-N-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.