Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
TL;DR: Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) (CAS 3170-72-7) is a chemical compound with molecular formula C11H17Br2N and molecular weight 320.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-ethyl-dimethylazanium bromide
Also Known As: Bretyllium, Ornido, Bretylium bromide, Ordil, AMMONIUM, (o-BROMOBENZYL)ETHYLDIMETHYL-, BROMIDE
| Molecular Formula | C11H17Br2N |
|---|---|
| Molecular Weight | 320.97 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.97073 |
| Heavy Atoms | 14 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 3170-72-7 |
|---|---|
| SMILES | CC[N+](C)(C)CC1=CC=CC=C1Br.[Br-] |
| InChIKey | OIICUUGPVAEJSH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) (CAS 3170-72-7), with molecular formula C11H17Br2N and molecular weight 320.97 g/mol. IUPAC: (2-bromophenyl)methyl-ethyl-dimethylazanium bromide.
Chemical Property Profile of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
Property Insights of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1). With a topological polar surface area (TPSA) of 0.0 Ų, Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) 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 Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)?
The CAS number of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) is 3170-72-7.
What is the molecular formula of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)?
The molecular formula of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) is C11H17Br2N.
What is the molecular weight of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)?
The molecular weight of Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) is 320.97 g/mol.
Where can I buy Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)?
You can request a quote for Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.