1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride
TL;DR: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride (CAS 132618-14-5) is a chemical compound with molecular formula C39H60Cl3N9O3 and molecular weight 807.3885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(2-aminoethyl)-1-ethyl-5-[2-[ethyl-[(3-ethyl-2-pyridinyl)methyl]amino]ethyl]-2,4,6-trioxo-3-(pyridin-2-ylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethyl-2-pyridinyl)methyl]azanium trichloride
Also Known As: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride, 1-(2-Aminoethyl)-3-(2-{diethyl[(3-ethylpyridin-2-yl)methyl]azaniumyl}ethyl)-3-ethyl-5-(2-{ethyl[(3-ethylpyridin-2-yl)methyl]amino}ethyl)-2,4,6-trioxo-1-[(pyridin-2-yl)methyl]-1,3,5-triazinane-1,3-diium trichloride, 2-[3-(2-aminoethyl)-1-ethyl-5-[2-[ethyl-[(3-ethylpyridin-2-yl)methyl]amino]ethyl]-2,4,6-trioxo-3-(pyridin-2-ylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethylpyridin-2-yl)methyl]azanium trichloride
Technical Specifications
| Molecular Formula | C39H60Cl3N9O3 |
| Molecular Weight | 807.3885 g/mol |
| XLogP | -3.6249 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 807.3885 Da |
| Heavy Atoms | 54 |
| Complexity | 1120.0 |
| SMILES | CCC1=C(N=CC=C1)CN(CC)CCN2C(=O)[N+](C(=O)[N+](C2=O)(CCN)CC3=CC=CC=N3)(CC)CC[N+](CC)(CC)CC4=C(C=CC=N4)CC.[Cl-].[Cl-].[Cl-] |
| InChIKey | VBETWIYSZSRZTD-UHFFFAOYSA-K |
Chemical Property Profile of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride
Property Insights of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride
The XLogP value of -3.6249 indicates that 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride. Following Lipinski's Rule of Five, 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride?
The CAS number of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride is 132618-14-5.
What is the molecular formula of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride?
The molecular formula of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride is C39H60Cl3N9O3.
What is the molecular weight of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride?
The molecular weight of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride is 807.3885 g/mol.
Where can I buy 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride?
You can request a quote for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(pyridinylmethyl)-, trichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.