Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride
TL;DR: Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride (CAS 16719-32-7) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-buta-2,3-dienyl-methylazanium chloride
Also Known As: U 1247, U-1247, N-2,3-Butadienyl-N-methylbenzylamine hydrochloride, Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride, benzyl-buta-2,3-dienyl-methylazanium chloride
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | -1.95 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 16719-32-7 |
|---|---|
| SMILES | C[NH+](CC=C=C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | QEUASYHCZZLPJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride (CAS 16719-32-7), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: benzyl-buta-2,3-dienyl-methylazanium chloride.
Chemical Property Profile of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride
Property Insights of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride
The XLogP value of -1.95 indicates that Benzenemethanamine, N-2,3-butadienyl-N-methyl-, 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, N-2,3-butadienyl-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-2,3-butadienyl-N-methyl-, 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, N-2,3-butadienyl-N-methyl-, hydrochloride?
The CAS number of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride is 16719-32-7.
What is the molecular formula of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride?
The molecular formula of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride is C12H16ClN.
What is the molecular weight of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride?
The molecular weight of Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride is 209.10 g/mol.
Where can I buy Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride?
You can request a quote for Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-2,3-butadienyl-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.