Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride
TL;DR: Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride (CAS 5220-94-0) is a chemical compound with molecular formula C11H13Cl2N and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl-methyl-prop-2-ynylazanium chloride
Also Known As: Chlorzymine, Chlorzymine hydrochloride, N-(o-Chlorobenzyl)-N-methyl-2-propynylamine hydrochloride, Benzylamine, o-chloro-N-methyl-N-2-propynyl-, o-Chloro-N-methyl-N-2-propynylbenzylamine hydrochloride
| Molecular Formula | C11H13Cl2N |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | -2.01 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.04251 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 5220-94-0 |
|---|---|
| SMILES | C[NH+](CC#C)CC1=CC=CC=C1Cl.[Cl-] |
| InChIKey | ODDKTLPZJHMKMI-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride (CAS 5220-94-0), with molecular formula C11H13Cl2N and molecular weight 229.04 g/mol. IUPAC: (2-chlorophenyl)methyl-methyl-prop-2-ynylazanium chloride.
Chemical Property Profile of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride
Property Insights of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride
The XLogP value of -2.01 indicates that Benzenemethanamine, 2-chloro-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, Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 2-chloro-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 Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride?
The CAS number of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride is 5220-94-0.
What is the molecular formula of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride?
The molecular formula of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride is C11H13Cl2N.
What is the molecular weight of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride?
The molecular weight of Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride is 229.04 g/mol.
Where can I buy Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride?
You can request a quote for Benzenemethanamine, 2-chloro-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 Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.