N,N'-Dodecamethylenebis(2,4,6-trintroaniline)
TL;DR: N,N'-Dodecamethylenebis(2,4,6-trintroaniline) (CAS 159064-90-1) is a chemical compound with molecular formula C24H30N8O12 and molecular weight 622.1983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(2,4,6-trinitrophenyl)dodecane-1,12-diamine
Also Known As: N,N'-DODECAMETHYLENEBIS(2,4,6-TRINTROANILINE), N,N'-bis(2,4,6-trinitrophenyl)dodecane-1,12-diamine, 668-092-0
Technical Specifications
| Molecular Formula | C24H30N8O12 |
| Molecular Weight | 622.1983 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 299.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 622.1983 Da |
| Heavy Atoms | 44 |
| Complexity | 861.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NCCCCCCCCCCCCNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KFMRFELXXIUIMF-UHFFFAOYSA-N |
Chemical Property Profile of N,N'-Dodecamethylenebis(2,4,6-trintroaniline)
Property Insights of N,N'-Dodecamethylenebis(2,4,6-trintroaniline)
The XLogP value of 8.3 indicates that N,N'-Dodecamethylenebis(2,4,6-trintroaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 299.0 Ų indicates high polarity, suggesting N,N'-Dodecamethylenebis(2,4,6-trintroaniline) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Dodecamethylenebis(2,4,6-trintroaniline) has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'-Dodecamethylenebis(2,4,6-trintroaniline)?
The CAS number of N,N'-Dodecamethylenebis(2,4,6-trintroaniline) is 159064-90-1.
What is the molecular formula of N,N'-Dodecamethylenebis(2,4,6-trintroaniline)?
The molecular formula of N,N'-Dodecamethylenebis(2,4,6-trintroaniline) is C24H30N8O12.
What is the molecular weight of N,N'-Dodecamethylenebis(2,4,6-trintroaniline)?
The molecular weight of N,N'-Dodecamethylenebis(2,4,6-trintroaniline) is 622.1983 g/mol.
Where can I buy N,N'-Dodecamethylenebis(2,4,6-trintroaniline)?
You can request a quote for N,N'-Dodecamethylenebis(2,4,6-trintroaniline) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Dodecamethylenebis(2,4,6-trintroaniline)?
Yes, CoreyChem provides custom synthesis services for N,N'-Dodecamethylenebis(2,4,6-trintroaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.