Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride
TL;DR: Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride (CAS 879-96-9) is a chemical compound with molecular formula C11H13BrClN and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-methyl-prop-2-ynylazanium chloride
Also Known As: o-Bromo-N-methyl-N-2-propynylbenzylamine hydrochloride, N-(o-Bromobenzyl)-N-methyl-2-propynylamine hydrochloride, BENZYLAMINE, o-BROMO-N-METHYL-N-2-PROPYNYL-, HYDROCHLORIDE, (2-bromophenyl)methyl-methyl-prop-2-ynylazanium chloride, RefChem:1079530
| Molecular Formula | C11H13BrClN |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.992 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 879-96-9 |
|---|---|
| SMILES | C[NH+](CC#C)CC1=CC=CC=C1Br.[Cl-] |
| InChIKey | LUTNYVBBRFDJTM-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride (CAS 879-96-9), with molecular formula C11H13BrClN and molecular weight 272.99 g/mol. IUPAC: (2-bromophenyl)methyl-methyl-prop-2-ynylazanium chloride.
Chemical Property Profile of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride
Property Insights of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride
The XLogP value of -1.9 indicates that Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride 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 Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride?
The CAS number of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride is 879-96-9.
What is the molecular formula of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride?
The molecular formula of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride is C11H13BrClN.
What is the molecular weight of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride?
The molecular weight of Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride is 272.99 g/mol.
Where can I buy Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride?
You can request a quote for Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.