Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)
TL;DR: Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) (CAS 68213-97-8) is a chemical compound with molecular formula C61H118ClN and molecular weight 899.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(trioctadecyl)azanium chloride
Also Known As: Benzyltrioctadecylammonium chloride, benzyl(trioctadecyl)azanium chloride, Benzenemethanaminium, N,N,N-trioctadecyl-, chloride, Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1), N-Benzyl-N,N-dioctadecyloctadecan-1-aminium chloride
| Molecular Formula | C61H118ClN |
|---|---|
| Molecular Weight | 899.90 g/mol |
| LogP | 18.7919 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 53 |
| Exact Mass | 899.89526 |
| Heavy Atoms | 63 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 68213-97-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-] |
| InChIKey | GEIOGQZUWHHRLM-UHFFFAOYSA-M |
Product Overview
Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) (CAS 68213-97-8), with molecular formula C61H118ClN and molecular weight 899.90 g/mol. IUPAC: benzyl(trioctadecyl)azanium chloride.
Chemical Property Profile of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)
Property Insights of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)
The XLogP value of 18.7919 indicates that Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)?
The CAS number of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) is 68213-97-8.
What is the molecular formula of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)?
The molecular formula of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) is C61H118ClN.
What is the molecular weight of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)?
The molecular weight of Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) is 899.90 g/mol.
Where can I buy Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)?
You can request a quote for Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.