Benzenemethanamine, N-2-propynyl-, hydrobromide
TL;DR: Benzenemethanamine, N-2-propynyl-, hydrobromide (CAS 16731-59-2) is a chemical compound with molecular formula C10H12BrN and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylprop-2-yn-1-amine;hydrobromide
Also Known As: Benzylpropargylamine hydrobromide, Propargylbenzylammonium bromide, N-2-Propynylbenzylamine hydrobromide, Benzylamine, N-2-propynyl-, hydrobromide, N-2-Propynylbenzenemethanamine hydrobromide
| Molecular Formula | C10H12BrN |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.9873 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0153 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 16731-59-2 |
|---|---|
| SMILES | C#CCNCC1=CC=CC=C1.Br |
| InChIKey | JFMHWOCZBDVQOJ-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-2-propynyl-, hydrobromide (CAS 16731-59-2), with molecular formula C10H12BrN and molecular weight 225.02 g/mol. IUPAC: N-benzylprop-2-yn-1-amine;hydrobromide.
Chemical Property Profile of Benzenemethanamine, N-2-propynyl-, hydrobromide
Property Insights of Benzenemethanamine, N-2-propynyl-, hydrobromide
The XLogP value of 1.9873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, N-2-propynyl-, hydrobromide. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-2-propynyl-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-2-propynyl-, hydrobromide has 2 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, N-2-propynyl-, hydrobromide?
The CAS number of Benzenemethanamine, N-2-propynyl-, hydrobromide is 16731-59-2.
What is the molecular formula of Benzenemethanamine, N-2-propynyl-, hydrobromide?
The molecular formula of Benzenemethanamine, N-2-propynyl-, hydrobromide is C10H12BrN.
What is the molecular weight of Benzenemethanamine, N-2-propynyl-, hydrobromide?
The molecular weight of Benzenemethanamine, N-2-propynyl-, hydrobromide is 225.02 g/mol.
Where can I buy Benzenemethanamine, N-2-propynyl-, hydrobromide?
You can request a quote for Benzenemethanamine, N-2-propynyl-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-2-propynyl-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-2-propynyl-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.