3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate
TL;DR: 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate (CAS 2450-57-9) is a chemical compound with molecular formula C26H46N4O7 and molecular weight 526.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(3-methylbutyl)azanium;2,4,6-trinitrophenolate
Also Known As: Tetraisoamylammoniumpikrat, 3-methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate, tetrakis(3-methylbutyl)azanium; 2,4,6-trinitrophenolate, 3-Methyl-N,N,N-triisopentylbutan-1-aminium, salt with 2,4,6-trinitrophenol (1:1), EINECS 219-512-2
| Molecular Formula | C26H46N4O7 |
|---|---|
| Molecular Weight | 526.34 g/mol |
| LogP | 6.47 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.3367 |
| Heavy Atoms | 37 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 2450-57-9 |
|---|---|
| SMILES | CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GGUDGHPYRRVSNO-UHFFFAOYSA-M |
Product Overview
3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate (CAS 2450-57-9), with molecular formula C26H46N4O7 and molecular weight 526.34 g/mol. IUPAC: tetrakis(3-methylbutyl)azanium;2,4,6-trinitrophenolate.
Chemical Property Profile of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate
Property Insights of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate
The XLogP value of 6.47 indicates that 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate?
The CAS number of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate is 2450-57-9.
What is the molecular formula of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate?
The molecular formula of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate is C26H46N4O7.
What is the molecular weight of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate?
The molecular weight of 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate is 526.34 g/mol.
Where can I buy 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate?
You can request a quote for 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-n,n,n-tris(3-methylbutyl)butan-1-aminium 2,4,6-trinitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.