Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride
TL;DR: Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride (CAS 16719-34-9) is a chemical compound with molecular formula C12H15Cl2N and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-2,3-dienyl-[(2-chlorophenyl)methyl]-methylazanium chloride
Also Known As: U-1379, 2,3-Butadien-1-ol,N-methyl-o-chloro-benzylamine, N-2,3-Butadienyl-N-methyl-o-chlorobenzylamine hydrochloride, Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride, buta-2,3-dienyl-[(2-chlorophenyl)methyl]-methylazanium chloride
| Molecular Formula | C12H15Cl2N |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05815 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 16719-34-9 |
|---|---|
| SMILES | C[NH+](CC=C=C)CC1=CC=CC=C1Cl.[Cl-] |
| InChIKey | UETFIVDVPMGKPC-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride (CAS 16719-34-9), with molecular formula C12H15Cl2N and molecular weight 243.06 g/mol. IUPAC: buta-2,3-dienyl-[(2-chlorophenyl)methyl]-methylazanium chloride.
Chemical Property Profile of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride
Property Insights of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride
The XLogP value of -1.3 indicates that Benzenemethanamine, N-2,3-butadienyl-2-chloro-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-2-chloro-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-2,3-butadienyl-2-chloro-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-2-chloro-N-methyl-, hydrochloride?
The CAS number of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride is 16719-34-9.
What is the molecular formula of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride?
The molecular formula of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride is C12H15Cl2N.
What is the molecular weight of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride?
The molecular weight of Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride is 243.06 g/mol.
Where can I buy Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride?
You can request a quote for Benzenemethanamine, N-2,3-butadienyl-2-chloro-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-2-chloro-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-2,3-butadienyl-2-chloro-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.