Benzyl-dimethyl-prop-2-enylazanium
TL;DR: Benzyl-dimethyl-prop-2-enylazanium (CAS 22100-10-3) is a chemical compound with molecular formula C12H18N+ and molecular weight 176.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-prop-2-enylazanium
Also Known As: Benzylallyldimethylaminium, benzyl-dimethyl-prop-2-enylazanium, allyl-benzyl-dimethyl-ammonium,bromide, benzyldimethyl(prop-2-en-1-yl)azanium, N-Benzyl-N,N-dimethylprop-2-en-1-aminium
| Molecular Formula | C12H18N+ |
|---|---|
| Molecular Weight | 176.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.14392 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 22100-10-3 |
|---|---|
| SMILES | C[N+](C)(CC=C)CC1=CC=CC=C1 |
| InChIKey | YVEJDOBFMBXLPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl-dimethyl-prop-2-enylazanium (CAS 22100-10-3), with molecular formula C12H18N+ and molecular weight 176.14 g/mol. IUPAC: benzyl-dimethyl-prop-2-enylazanium.
Chemical Property Profile of Benzyl-dimethyl-prop-2-enylazanium
Property Insights of Benzyl-dimethyl-prop-2-enylazanium
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-dimethyl-prop-2-enylazanium. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyl-dimethyl-prop-2-enylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-dimethyl-prop-2-enylazanium has 0 hydrogen bond donor(s) and 0 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 Benzyl-dimethyl-prop-2-enylazanium?
The CAS number of Benzyl-dimethyl-prop-2-enylazanium is 22100-10-3.
What is the molecular formula of Benzyl-dimethyl-prop-2-enylazanium?
The molecular formula of Benzyl-dimethyl-prop-2-enylazanium is C12H18N+.
What is the molecular weight of Benzyl-dimethyl-prop-2-enylazanium?
The molecular weight of Benzyl-dimethyl-prop-2-enylazanium is 176.14 g/mol.
Where can I buy Benzyl-dimethyl-prop-2-enylazanium?
You can request a quote for Benzyl-dimethyl-prop-2-enylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-dimethyl-prop-2-enylazanium?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-dimethyl-prop-2-enylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.